3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C16H13Cl2NOS2 — CID 4194179

IUPAC3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyOOCOFUKEALKQOL-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.49
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4194179) has the molecular formula C16H13Cl2NOS2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID4194179
Molecular FormulaC16H13Cl2NOS2
Molecular Weight370.33 g/mol
Exact Mass368.98
IUPAC Name3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyOOCOFUKEALKQOL-UHFFFAOYSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
2-(4-methylsulfanylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 134131493
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 42807473
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 4194179) is 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OOCOFUKEALKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 370.33 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4194179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).