2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

C12H14ClNO3S — CID 23763044

IUPAC2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2)N1C[C@H](O)CO
InChIInChI=1S/C12H14ClNO3S/c13-9-3-1-2-8(4-9)12-14(5-10(16)6-15)11(17)7-18-12/h1-4,10,12,15-16H,5-7H2/t10-,12?/m0/s1
InChIKeyQTIDCHJWERXVKF-NUHJPDEHSA-N
MW287.77 g/mol
LogP1.27
Rot. Bonds4

About 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (PubChem CID 23763044) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
PubChem CID23763044
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2)N1C[C@H](O)CO
InChIInChI=1S/C12H14ClNO3S/c13-9-3-1-2-8(4-9)12-14(5-10(16)6-15)11(17)7-18-12/h1-4,10,12,15-16H,5-7H2/t10-,12?/m0/s1
InChIKeyQTIDCHJWERXVKF-NUHJPDEHSA-N
XLogP1.27
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one 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

3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
CID 3447829
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
3-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 23793149
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
CID 27879726
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 11842533

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one (CID 23763044) is 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Cl)c2)N1C[C@H](O)CO.
What is the InChIKey of 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
The InChIKey is QTIDCHJWERXVKF-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c13-9-3-1-2-8(4-9)12-14(5-10(16)6-15)11(17)7-18-12/h1-4,10,12,15-16H,5-7H2/t10-,12?/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one has a molecular weight of 287.77 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23763044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).