3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one

C10H11NOS2 — CID 13005196

IUPAC3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2S)c1
InChIInChI=1S/C10H11NOS2/c1-7-3-2-4-8(5-7)11-9(12)6-14-10(11)13/h2-5,10,13H,6H2,1H3
InChIKeyULCCJFKVNXTDHJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.29
Rot. Bonds1

About 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one

3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one (PubChem CID 13005196) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
PubChem CID13005196
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2S)c1
InChIInChI=1S/C10H11NOS2/c1-7-3-2-4-8(5-7)11-9(12)6-14-10(11)13/h2-5,10,13H,6H2,1H3
InChIKeyULCCJFKVNXTDHJ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 3422181
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713
2,4,6-trimethyl-N-[4-[(2S)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125085
7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
CID 15761342
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
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
ethane;methane;1-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 171522896
3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124940

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one (CID 13005196) is 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2S)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one?
The InChIKey is ULCCJFKVNXTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-7-3-2-4-8(5-7)11-9(12)6-14-10(11)13/h2-5,10,13H,6H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one?
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one has a molecular weight of 225.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 13005196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).