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

C15H12ClN3OS2 — CID 137223033

IUPAC5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=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 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137223033) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137223033
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137223033) is 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=N/N=C/c2cccs2)SC1Cc1cccc(Cl)c1.
What is the InChIKey of 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 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
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 5-[(3-chlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137223033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).