5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide

C10H6BrClN2OS — CID 71265797

IUPAC5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccc(Br)cc1
InChIInChI=1S/C10H6BrClN2OS/c11-6-3-1-5(2-4-6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChIKeyKXLKXBOSLGMYLR-UHFFFAOYSA-N
MW317.60 g/mol
LogP3.32
Rot. Bonds2

About 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide

5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide (PubChem CID 71265797) has the molecular formula C10H6BrClN2OS and a molecular weight of 317.60 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide
PubChem CID71265797
Molecular FormulaC10H6BrClN2OS
Molecular Weight317.60 g/mol
Exact Mass315.91
IUPAC Name5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccc(Br)cc1
InChIInChI=1S/C10H6BrClN2OS/c11-6-3-1-5(2-4-6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChIKeyKXLKXBOSLGMYLR-UHFFFAOYSA-N
XLogP3.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide 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-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide (CID 71265797) is 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide is NC(=O)c1c(Cl)nsc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide?
The InChIKey is KXLKXBOSLGMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2OS/c11-6-3-1-5(2-4-6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15).
What are the key properties of 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide?
5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide has a molecular weight of 317.60 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-chloro-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71265797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).