2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid

C18H14N2O3S — CID 91062779

IUPAC2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccc2)c1C(=O)Nc1nccs1
InChIInChI=1S/C18H14N2O3S/c1-11-13(17(22)23)7-8-14(12-5-3-2-4-6-12)15(11)16(21)20-18-19-9-10-24-18/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyXZVPZACSOXVREC-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid

2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid (PubChem CID 91062779) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
PubChem CID91062779
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccc2)c1C(=O)Nc1nccs1
InChIInChI=1S/C18H14N2O3S/c1-11-13(17(22)23)7-8-14(12-5-3-2-4-6-12)15(11)16(21)20-18-19-9-10-24-18/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyXZVPZACSOXVREC-UHFFFAOYSA-N
XLogP4.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046995
2-chloro-5-phenyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 10448430
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
3-[2-methyl-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77073019
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
(2R)-2-(3-fluoro-4-phenylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 40961510
2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22320712
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
[2-(2-carbamoylphenyl)-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
CID 87176257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid (CID 91062779) is 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid is Cc1c(C(=O)O)ccc(-c2ccccc2)c1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid?
The InChIKey is XZVPZACSOXVREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-11-13(17(22)23)7-8-14(12-5-3-2-4-6-12)15(11)16(21)20-18-19-9-10-24-18/h2-10H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid?
2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid has a molecular weight of 338.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 91062779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).