2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

C12H12N2O2S — CID 135714581

IUPAC2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1ccccc1C(=O)/N=C1\NC(=O)[C@H](C)S1
InChIInChI=1S/C12H12N2O2S/c1-7-5-3-4-6-9(7)11(16)14-12-13-10(15)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyZECZJVHQDCBWEZ-QMMMGPOBSA-N
MW248.31 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 135714581) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID135714581
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1ccccc1C(=O)/N=C1\NC(=O)[C@H](C)S1
InChIInChI=1S/C12H12N2O2S/c1-7-5-3-4-6-9(7)11(16)14-12-13-10(15)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,15,16)/t8-/m0/s1
InChIKeyZECZJVHQDCBWEZ-QMMMGPOBSA-N
XLogP1.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide 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

(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
N-[5-[2-amino-1-(4-chloro-2-methylphenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-chlorobenzamide
CID 136614126
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
[2-methyl-6-[[(E)-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 135621657
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2R)-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41074467
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (CID 135714581) is 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is Cc1ccccc1C(=O)/N=C1\NC(=O)[C@H](C)S1.
What is the InChIKey of 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is ZECZJVHQDCBWEZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-5-3-4-6-9(7)11(16)14-12-13-10(15)8(2)17-12/h3-6,8H,1-2H3,(H,13,14,15,16)/t8-/m0/s1.
What are the key properties of 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 135714581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).