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

C11H7FN2O3S — CID 114030924

IUPAC4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cncs1
InChIInChI=1S/C11H7FN2O3S/c12-6-1-2-7(11(16)17)8(3-6)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyOGLKQDPVPLFTKO-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.23
Rot. Bonds3

About 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid

4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid (PubChem CID 114030924) has the molecular formula C11H7FN2O3S and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
PubChem CID114030924
Molecular FormulaC11H7FN2O3S
Molecular Weight266.25 g/mol
Exact Mass266.02
IUPAC Name4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cncs1
InChIInChI=1S/C11H7FN2O3S/c12-6-1-2-7(11(16)17)8(3-6)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17)
InChIKeyOGLKQDPVPLFTKO-UHFFFAOYSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 28779104
2-chloro-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 113222078
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030951
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
N-(6-bromo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103789386

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid (CID 114030924) is 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1cncs1.
What is the InChIKey of 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid?
The InChIKey is OGLKQDPVPLFTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3S/c12-6-1-2-7(11(16)17)8(3-6)14-10(15)9-4-13-5-18-9/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid?
4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid has a molecular weight of 266.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 114030924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).