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

C16H15N3OS2 — CID 137186427

IUPAC5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2SC(=N/N=C/c3cccs3)NC2=O)cc1
InChIInChI=1S/C16H15N3OS2/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyPCLIZMOSWCLVTC-LICLKQGHSA-N
MW329.45 g/mol
LogP3.22
Rot. Bonds4

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

5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137186427) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137186427
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2SC(=N/N=C/c3cccs3)NC2=O)cc1
InChIInChI=1S/C16H15N3OS2/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyPCLIZMOSWCLVTC-LICLKQGHSA-N
XLogP3.22
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135711087
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
(2E)-5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628357
(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135582050
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 137231427
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137186427) is 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(CC2SC(=N/N=C/c3cccs3)NC2=O)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PCLIZMOSWCLVTC-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+.
What are the key properties of 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 329.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137186427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).