(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate

C17H13NO3S — CID 2399726

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C17H13NO3S/c19-15-8-6-13(7-9-15)17(20)21-10-14-11-22-16(18-14)12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyFIPLQUYFEHPFMF-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.87
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate

(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate (PubChem CID 2399726) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate
PubChem CID2399726
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C17H13NO3S/c19-15-8-6-13(7-9-15)17(20)21-10-14-11-22-16(18-14)12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyFIPLQUYFEHPFMF-UHFFFAOYSA-N
XLogP3.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1483723
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-hydroxybenzoate
CID 2393742
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-hydroxybenzoate
CID 4879957
2-Methyl-1-[2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 57396546
(4-Methoxyphenyl)(2-phenylthiazol-4-yl)methanone
CID 25258380
3-[2-[1-Hydroxy-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]benzoic acid
CID 46943826
3-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]benzoic acid
CID 47061902
3-[2-[Hydroxy-(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]benzoic acid
CID 49786902
(2-Phenyl-1,3-thiazol-4-yl)methyl benzoate
CID 2386621
1-[4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 8300008
[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 8820282
Diethyl 5-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 25620941

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate (CID 2399726) is (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate is O=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate?
The InChIKey is FIPLQUYFEHPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-15-8-6-13(7-9-15)17(20)21-10-14-11-22-16(18-14)12-4-2-1-3-5-12/h1-9,11,19H,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate has a molecular weight of 311.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 4-hydroxybenzoate is sourced from PubChem (CID 2399726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).