3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C11H12N2OS — CID 1495113

IUPAC3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/SCC(=O)N2C)cc1
InChIInChI=1S/C11H12N2OS/c1-8-3-5-9(6-4-8)12-11-13(2)10(14)7-15-11/h3-6H,7H2,1-2H3/b12-11+
InChIKeyQDZCWKXNZOSMKR-VAWYXSNFSA-N
MW220.30 g/mol
LogP2.19
Rot. Bonds1

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

3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1495113) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1495113
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/SCC(=O)N2C)cc1
InChIInChI=1S/C11H12N2OS/c1-8-3-5-9(6-4-8)12-11-13(2)10(14)7-15-11/h3-6H,7H2,1-2H3/b12-11+
InChIKeyQDZCWKXNZOSMKR-VAWYXSNFSA-N
XLogP2.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 1495113) is 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/SCC(=O)N2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is QDZCWKXNZOSMKR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-3-5-9(6-4-8)12-11-13(2)10(14)7-15-11/h3-6H,7H2,1-2H3/b12-11+.
What are the key properties of 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1495113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).