2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid

C4HBrClNO2S — CID 11379522

IUPAC2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1Cl
InChIInChI=1S/C4HBrClNO2S/c5-4-7-1(3(8)9)2(6)10-4/h(H,8,9)
InChIKeyYPVLHDUANVJQBW-UHFFFAOYSA-N
MW242.48 g/mol
LogP2.26
Rot. Bonds1

About 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid

2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid (PubChem CID 11379522) has the molecular formula C4HBrClNO2S and a molecular weight of 242.48 g/mol. Its IUPAC name is 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid
PubChem CID11379522
Molecular FormulaC4HBrClNO2S
Molecular Weight242.48 g/mol
Exact Mass240.86
IUPAC Name2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1Cl
InChIInChI=1S/C4HBrClNO2S/c5-4-7-1(3(8)9)2(6)10-4/h(H,8,9)
InChIKeyYPVLHDUANVJQBW-UHFFFAOYSA-N
XLogP2.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid 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 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid (CID 11379522) is 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Br)sc1Cl.
What is the InChIKey of 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid?
The InChIKey is YPVLHDUANVJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClNO2S/c5-4-7-1(3(8)9)2(6)10-4/h(H,8,9).
What are the key properties of 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid?
2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.48 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 11379522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).