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

C13H16N2OS — CID 46238238

IUPAC2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N\c1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-3-8-15-12(16)9-17-13(15)14-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3/b14-13-
InChIKeyQTIPLRGLNSQFTD-YPKPFQOOSA-N
MW248.35 g/mol
LogP2.97
Rot. Bonds3

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

2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one (PubChem CID 46238238) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
PubChem CID46238238
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N\c1ccccc1C
InChIInChI=1S/C13H16N2OS/c1-3-8-15-12(16)9-17-13(15)14-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3/b14-13-
InChIKeyQTIPLRGLNSQFTD-YPKPFQOOSA-N
XLogP2.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 46238241
2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one
CID 44586624
2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 22951280
3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 121015318
2-phenylimino-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42625457
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
3-[(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(ethylamino)benzonitrile
CID 87377774
3-methyl-2-(2-methylphenyl)imino-5-phenyl-1,3,5-thiadiazinan-4-one
CID 21314718
(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 118713906
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 2826689
(5E)-3-methyl-2-(2-methylphenyl)imino-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486785

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one (CID 46238238) is 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)CS/C1=N\c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is QTIPLRGLNSQFTD-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-8-15-12(16)9-17-13(15)14-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3/b14-13-.
What are the key properties of 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one?
2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 248.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46238238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).