5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine

Name: 5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine
Brand: ChemScene
Availability: InStock
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CAS No. 100987-89-1
Cat. No. CS-0160761
Purity≥95%
MDL No.MFCD02032690

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5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine|CS-0160761

Structure of 100987-89-1

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General Information

CAS No. 100987-89-1
Cat. No. CS-0160761
Purity ≥95%
MDL No. MFCD02032690
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃N₃S
Molecular Weight 219.31
Synonym(s) None
SMILES NC1=NN=C(C2=CC=C(C(C)C)C=C2)S1

Description

This thiadiazole derivative features a 4-isopropylphenyl substituent that enhances solubility and modulates electronic properties. The amine group at the 2-position enables direct coupling in synthetic transformations. The scaffold serves as a key pharmacophore in bioactive compound design, offering robust stability under standard reaction conditions.

Application

5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds. Its thiadiazole core exhibits excellent bench stability and tolerates a range of functional groups, facilitating downstream derivatization via standard coupling reactions. The isopropyl-substituted aryl moiety enhances lipophilicity and provides steric modulation, supporting optimization of pharmacokinetic properties in target-directed synthesis.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 51.8
LogP 2.9107
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Thiadiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(4-Isopropylphenyl)-1,3,4-thiadiazol-2-amine

CAS No. 100987-89-1

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