3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

C17H13N3O3S — CID 39194623

IUPAC3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C17H13N3O3S/c18-17-20-13(10-5-2-1-3-6-10)14(24-17)15(21)19-12-8-4-7-11(9-12)16(22)23/h1-9H,(H2,18,20)(H,19,21)(H,22,23)
InChIKeyYQZWZCLMUMUNON-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.34
Rot. Bonds4

About 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid

3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 39194623) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID39194623
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C17H13N3O3S/c18-17-20-13(10-5-2-1-3-6-10)14(24-17)15(21)19-12-8-4-7-11(9-12)16(22)23/h1-9H,(H2,18,20)(H,19,21)(H,22,23)
InChIKeyYQZWZCLMUMUNON-UHFFFAOYSA-N
XLogP3.34
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115643
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194626
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 54003940
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 39194623) is 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Nc1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is YQZWZCLMUMUNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c18-17-20-13(10-5-2-1-3-6-10)14(24-17)15(21)19-12-8-4-7-11(9-12)16(22)23/h1-9H,(H2,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 339.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 39194623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).