2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid

C10H6BrClN2O2S — CID 81271892

IUPAC2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H6BrClN2O2S/c11-6-2-1-5(12)3-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZKXRQEGDESWIBS-UHFFFAOYSA-N
MW333.59 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid

2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 81271892) has the molecular formula C10H6BrClN2O2S and a molecular weight of 333.59 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID81271892
Molecular FormulaC10H6BrClN2O2S
Molecular Weight333.59 g/mol
Exact Mass331.90
IUPAC Name2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C10H6BrClN2O2S/c11-6-2-1-5(12)3-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZKXRQEGDESWIBS-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 102855379
2-(3-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 104781916
2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 80567861
2-(2,3,4-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 79023733
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015
methyl 2-(2-bromo-5-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 113307186
methyl 2-(4-chloro-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 114256663
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid (CID 81271892) is 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZKXRQEGDESWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2S/c11-6-2-1-5(12)3-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid?
2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 333.59 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 81271892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).