(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C16H15N3O2S2 — CID 135602921

IUPAC(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C[C@H]2S/C(=N/N=Cc3cccs3)NC2=O)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-14-15(20)18-16(23-14)19-17-10-13-3-2-8-22-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyJCBUCMHNESYHIN-CQSZACIVSA-N
MW345.45 g/mol
LogP2.92
Rot. Bonds5

About (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135602921) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135602921
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C[C@H]2S/C(=N/N=Cc3cccs3)NC2=O)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-14-15(20)18-16(23-14)19-17-10-13-3-2-8-22-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyJCBUCMHNESYHIN-CQSZACIVSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-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

5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137186427
(5S)-5-[(4-chlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878935
(2Z)-5-benzyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473234
(2E)-5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628357
(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135711087
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135582050
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
5-[(4-methoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486250

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135602921) is (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is COc1ccc(C[C@H]2S/C(=N/N=Cc3cccs3)NC2=O)cc1.
What is the InChIKey of (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is JCBUCMHNESYHIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-14-15(20)18-16(23-14)19-17-10-13-3-2-8-22-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 345.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135602921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).