2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one

C17H16ClNOS — CID 3822396

IUPAC2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H16ClNOS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10H2,1-2H3
InChIKeyZUHOJIXXCMVTEU-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.74
Rot. Bonds2

About 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3822396) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID3822396
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H16ClNOS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10H2,1-2H3
InChIKeyZUHOJIXXCMVTEU-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 24716509
(2S)-2-(4-chlorophenyl)-3-(2-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274539
N-[4-[3-(2,3-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5,5-trimethylhexanamide
CID 42807155
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
2-(3-aminophenyl)-3-(3-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
CID 24716037
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
2-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 130386108
(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-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one (CID 3822396) is 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZUHOJIXXCMVTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-11-4-3-5-15(12(11)2)19-16(20)10-21-17(19)13-6-8-14(18)9-7-13/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.84 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3822396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).