2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

Name: 2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 952753-59-2
Cat. No. CS-0052060
Purity≥95%
MDL No.MFCD24642255

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile|CS-0052060

Structure of 952753-59-2

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Description

2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile features a fused heterocyclic core with a para-fluorophenyl substituent and electron-withdrawing nitrile group. This configuration imparts enhanced metabolic stability and targeted electronic properties, enabling its use in pharmaceutical scaffold development and medicinal chemistry campaigns requiring precise steric and electronic tuning.

Application

2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to thiazole-based scaffolds relevant in medicinal chemistry. Its amino and nitrile groups offer orthogonal reactivity, facilitating derivatization via coupling, cyclization, or nucleophilic substitution. The molecule exhibits good bench stability and is compatible with standard purification methods, making it suitable for scalable synthesis and process development.

General Information

CAS No. 952753-59-2
Cat. No. CS-0052060
Purity ≥95%
MDL No. MFCD24642255
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆FN₃S
Molecular Weight None
Synonym(s) 2-amino-4-(4-fluorophenyl)thiazole-5-carbonitrile
SMILES NC1=NC(=C(S1)C#N)C1=CC=C(F)C=C1

Computational Chemistry Data

TPSA 62.7
LogP 2.40308
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

CAS No. 952753-59-2

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