(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14ClN3OS2 — CID 127048215

IUPAC(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H14ClN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-
InChIKeyCHOYQIVNMHGOPM-GVPHMVRHSA-N
MW363.90 g/mol
LogP4.26
Rot. Bonds4

About (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127048215) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127048215
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C16H14ClN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-
InChIKeyCHOYQIVNMHGOPM-GVPHMVRHSA-N
XLogP4.26
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 54.26
H-Bond Donors ≤ 50
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 (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127048215) is (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CHOYQIVNMHGOPM-GVPHMVRHSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c1-11(14-3-2-8-22-14)18-19-16-20(15(21)10-23-16)9-12-4-6-13(17)7-5-12/h2-8H,9-10H2,1H3/b18-11-,19-16-.
What are the key properties of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 363.90 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127048215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).