2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C16H11NO3S — CID 136889078

IUPAC2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-12-8-6-11(7-9-12)15-17-13(14(21-15)16(19)20)10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
InChIKeyUCFQJSAXBVJILD-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 136889078) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID136889078
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-12-8-6-11(7-9-12)15-17-13(14(21-15)16(19)20)10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
InChIKeyUCFQJSAXBVJILD-UHFFFAOYSA-N
XLogP3.88
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 131954936
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 134617786
2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 118727567
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 136889078) is 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UCFQJSAXBVJILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-12-8-6-11(7-9-12)15-17-13(14(21-15)16(19)20)10-4-2-1-3-5-10/h1-9,18H,(H,19,20).
What are the key properties of 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 136889078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).