3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one

C12H15NOS — CID 68742071

IUPAC3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
SMILESCc1ccc(C2SC(=O)N(C)C2C)cc1
InChIInChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)11-9(2)13(3)12(14)15-11/h4-7,9,11H,1-3H3
InChIKeyUKOSTPRDGVDQPM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.22
Rot. Bonds1

About 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one

3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one (PubChem CID 68742071) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
PubChem CID68742071
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
SMILESCc1ccc(C2SC(=O)N(C)C2C)cc1
InChIInChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)11-9(2)13(3)12(14)15-11/h4-7,9,11H,1-3H3
InChIKeyUKOSTPRDGVDQPM-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
CID 174527586
(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 10421066
(4R,5R)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 13284691
(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 70513523
4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
CID 13092662
3,5-dimethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83260782
(4R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 70300206
1-(2-amino-2-methylpropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981402
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
dimethyl 5-amino-2-methyl-7-(4-methylphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 3481369
3-methyl-2-(4-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 66351405

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one (CID 68742071) is 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one is Cc1ccc(C2SC(=O)N(C)C2C)cc1.
What is the InChIKey of 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
The InChIKey is UKOSTPRDGVDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)11-9(2)13(3)12(14)15-11/h4-7,9,11H,1-3H3.
What are the key properties of 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one?
3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one has a molecular weight of 221.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 68742071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).