5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C9H6BrClN2S — CID 12948090

IUPAC5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)c(Br)s1
InChIInChI=1S/C9H6BrClN2S/c10-8-7(13-9(12)14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13)
InChIKeyQQFVAFAGXZKYMW-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.81
Rot. Bonds1

About 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine

5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 12948090) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID12948090
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)c(Br)s1
InChIInChI=1S/C9H6BrClN2S/c10-8-7(13-9(12)14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13)
InChIKeyQQFVAFAGXZKYMW-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 12948090) is 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Cl)cc2)c(Br)s1.
What is the InChIKey of 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is QQFVAFAGXZKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c10-8-7(13-9(12)14-8)5-1-3-6(11)4-2-5/h1-4H,(H2,12,13).
What are the key properties of 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 289.59 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 12948090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).