(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C17H14N2OS — CID 135676533

IUPAC(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)/C(=C/c2ccccc2)S1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)18-17-19-16(20)15(21-17)11-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19,20)/b15-11-
InChIKeyIXYJLLXRGAJINT-PTNGSMBKSA-N
MW294.38 g/mol
LogP3.89
Rot. Bonds2

About (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135676533) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135676533
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)/C(=C/c2ccccc2)S1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)18-17-19-16(20)15(21-17)11-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19,20)/b15-11-
InChIKeyIXYJLLXRGAJINT-PTNGSMBKSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-benzylidene-2-(2-methylphenyl)imino-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

(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490206
(5E)-5-[(3-bromophenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404457
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
(5Z)-2-(2-methylphenyl)imino-5-[(2,4,5-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089313
(5Z)-2-(2-methylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135518502
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
CID 137165922
2-(2-methylphenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135416660
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135563085
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
CID 137165917
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
2-(2,3-dimethylphenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135491592

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135676533) is (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccccc2)S1.
What is the InChIKey of (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IXYJLLXRGAJINT-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)18-17-19-16(20)15(21-17)11-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19,20)/b15-11-.
What are the key properties of (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).