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

C23H16N2O4S — CID 67343096

IUPAC4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C23H16N2O4S/c26-21(20-14-30-22(25-20)15-7-3-1-4-8-15)24-19-13-17(11-12-18(19)23(27)28)29-16-9-5-2-6-10-16/h1-14H,(H,24,26)(H,27,28)
InChIKeyBIMGLTXMTHUKHW-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.55
Rot. Bonds6

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

4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (PubChem CID 67343096) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
PubChem CID67343096
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C23H16N2O4S/c26-21(20-14-30-22(25-20)15-7-3-1-4-8-15)24-19-13-17(11-12-18(19)23(27)28)29-16-9-5-2-6-10-16/h1-14H,(H,24,26)(H,27,28)
InChIKeyBIMGLTXMTHUKHW-UHFFFAOYSA-N
XLogP5.55
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 55520028
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (CID 67343096) is 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is O=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The InChIKey is BIMGLTXMTHUKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c26-21(20-14-30-22(25-20)15-7-3-1-4-8-15)24-19-13-17(11-12-18(19)23(27)28)29-16-9-5-2-6-10-16/h1-14H,(H,24,26)(H,27,28).
What are the key properties of 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid has a molecular weight of 416.46 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 67343096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).