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

C17H12N2O3S — CID 739384

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20)
InChIKeyBWMSCBOAFRUBGF-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.76
Rot. Bonds4

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

2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (PubChem CID 739384) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
PubChem CID739384
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20)
InChIKeyBWMSCBOAFRUBGF-UHFFFAOYSA-N
XLogP3.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (CID 739384) is 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The InChIKey is BWMSCBOAFRUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid has a molecular weight of 324.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 739384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).