2,5-diphenyl-1,3-thiazole-4-carboxylic acid

C16H11NO2S — CID 11357987

IUPAC2,5-diphenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyHKKJCAGVFVKYFH-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.18
Rot. Bonds3

About 2,5-diphenyl-1,3-thiazole-4-carboxylic acid

2,5-diphenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 11357987) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2,5-diphenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-diphenyl-1,3-thiazole-4-carboxylic acid
PubChem CID11357987
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name2,5-diphenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyHKKJCAGVFVKYFH-UHFFFAOYSA-N
XLogP4.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
5-phenyl-1,3-thiazole-4-carboxylic Acid
CID 944813
4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684
Ethyl 2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 59226310
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic Acid
CID 2353244
2-(2-Phenyl-1,3-thiazol-4-yl)benzoic acid
CID 2766882
5-Benzyl-1,3-thiazole-4-carboxylic acid
CID 86069799
5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 13835304
4-Methyl-5-{[(3-methylbenzoyl)oxy]ethanimidoyl}-2-phenyl-1,3-thiazole
CID 9581910
5-{[(4-Fluorobenzoyl)oxy]ethanimidoyl}-4-methyl-2-phenyl-1,3-thiazole
CID 9581912
2-(4-(4-Fluorophenyl)-2-phenylthiazol-5-yl)acetic acid
CID 39453523

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2,5-diphenyl-1,3-thiazole-4-carboxylic acid (CID 11357987) is 2,5-diphenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2,5-diphenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2,5-diphenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is HKKJCAGVFVKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19).
What are the key properties of 2,5-diphenyl-1,3-thiazole-4-carboxylic acid?
2,5-diphenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 11357987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).