2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid

C11H7ClN2O3S — CID 113222078

IUPAC2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cncs1
InChIInChI=1S/C11H7ClN2O3S/c12-8-2-1-6(3-7(8)11(16)17)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyNMBBYXVGEGOSLT-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid

2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid (PubChem CID 113222078) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
PubChem CID113222078
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cncs1
InChIInChI=1S/C11H7ClN2O3S/c12-8-2-1-6(3-7(8)11(16)17)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyNMBBYXVGEGOSLT-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030951
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103789386
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
2-chloro-5-[(3-chlorobenzoyl)amino]-N-(1,3-thiazol-5-yl)benzamide
CID 23630121
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-chloro-5-[(5-nitrothiophene-3-carbonyl)amino]benzoic acid
CID 60782737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid (CID 113222078) is 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid is O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cncs1.
What is the InChIKey of 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
The InChIKey is NMBBYXVGEGOSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-8-2-1-6(3-7(8)11(16)17)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid?
2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid has a molecular weight of 282.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 113222078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).