2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

C17H11FN2O3S — CID 6940545

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h1-9H,(H,22,23)(H,19,20,21)
InChIKeyIUPYUTYGBUGAJI-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.90
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid (PubChem CID 6940545) has the molecular formula C17H11FN2O3S and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
PubChem CID6940545
Molecular FormulaC17H11FN2O3S
Molecular Weight342.35 g/mol
Exact Mass342.05
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h1-9H,(H,22,23)(H,19,20,21)
InChIKeyIUPYUTYGBUGAJI-UHFFFAOYSA-N
XLogP3.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic 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-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid (CID 6940545) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The InChIKey is IUPYUTYGBUGAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h1-9H,(H,22,23)(H,19,20,21).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid has a molecular weight of 342.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 6940545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).