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

C15H12ClN3OS2 — CID 135425005

IUPAC(2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2cccs2)SC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS2/c16-11-4-1-3-10(7-11)8-13-14(20)18-15(22-13)19-17-9-12-5-2-6-21-12/h1-7,9,13H,8H2,(H,18,19,20)/b17-9+
InChIKeyCZMIHGKZSLTWDH-RQZCQDPDSA-N
MW349.87 g/mol
LogP3.57
Rot. Bonds4

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

(2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135425005) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135425005
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name(2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2cccs2)SC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3OS2/c16-11-4-1-3-10(7-11)8-13-14(20)18-15(22-13)19-17-9-12-5-2-6-21-12/h1-7,9,13H,8H2,(H,18,19,20)/b17-9+
InChIKeyCZMIHGKZSLTWDH-RQZCQDPDSA-N
XLogP3.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 53.57
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

(2E)-5-(4-chlorobenzyl)-2-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135425025
(2E)-5-(2,3-dichlorobenzyl)-2-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135425026
2-Thiophenecarbaldehyde [5-(2,4-dichlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135425062
(2E)-5-(3,4-dichlorobenzyl)-2-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135433237
2-Thiophenecarbaldehyde (5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135473234
2-Thiophenecarbaldehyde [5-(4-fluorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135457723
(2Z)-5-(3-chlorobenzyl)-2-[(2E)-(2-chlorobenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135473248
(2Z)-5-[(3-Chlorophenyl)methyl]-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazin-1-ylidene]-1,3-thiazolidin-4-one
CID 135473262
5-[(4-Fluorophenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447144
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135451250
2-(Thiophen-2-ylmethylidenehydrazinylidene)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135497537
5-[[4-(Difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135503259

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135425005) is (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2cccs2)SC1Cc1cccc(Cl)c1.
What is the InChIKey of (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CZMIHGKZSLTWDH-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c16-11-4-1-3-10(7-11)8-13-14(20)18-15(22-13)19-17-9-12-5-2-6-21-12/h1-7,9,13H,8H2,(H,18,19,20)/b17-9+.
What are the key properties of (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 349.87 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135425005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).