4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid

C15H15NO3S — CID 103988069

IUPAC4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2csc(CC3CCOC3)n2)cc1
InChIInChI=1S/C15H15NO3S/c17-15(18)12-3-1-11(2-4-12)13-9-20-14(16-13)7-10-5-6-19-8-10/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHGWWQPCOEVWWRH-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.09
Rot. Bonds4

About 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid

4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid (PubChem CID 103988069) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
PubChem CID103988069
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2csc(CC3CCOC3)n2)cc1
InChIInChI=1S/C15H15NO3S/c17-15(18)12-3-1-11(2-4-12)13-9-20-14(16-13)7-10-5-6-19-8-10/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyHGWWQPCOEVWWRH-UHFFFAOYSA-N
XLogP3.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid 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-[2-(cyclopentylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256814
5-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 113361992
1-(oxolan-3-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 103986612
methyl 2-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxylate
CID 103985943
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
2-(oxolan-3-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 103985961
4-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152487
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
2-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 103988046
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
4-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-4-yl]benzoic acid
CID 65140990

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid?
The IUPAC name of 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid (CID 103988069) is 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid is O=C(O)c1ccc(-c2csc(CC3CCOC3)n2)cc1.
What is the InChIKey of 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid?
The InChIKey is HGWWQPCOEVWWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-15(18)12-3-1-11(2-4-12)13-9-20-14(16-13)7-10-5-6-19-8-10/h1-4,9-10H,5-8H2,(H,17,18).
What are the key properties of 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid?
4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid has a molecular weight of 289.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]benzoic acid is sourced from PubChem (CID 103988069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).