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

C17H15ClN4OS — CID 127048501

IUPAC(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H15ClN4OS/c1-12(15-4-2-3-9-19-15)20-21-17-22(16(23)11-24-17)10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3/b20-12-,21-17-
InChIKeyJGMUSMHNWMAPIY-HQNBIQMISA-N
MW358.85 g/mol
LogP3.59
Rot. Bonds4

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

(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127048501) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127048501
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C17H15ClN4OS/c1-12(15-4-2-3-9-19-15)20-21-17-22(16(23)11-24-17)10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3/b20-12-,21-17-
InChIKeyJGMUSMHNWMAPIY-HQNBIQMISA-N
XLogP3.59
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.59
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-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127048501) is (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JGMUSMHNWMAPIY-HQNBIQMISA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-12(15-4-2-3-9-19-15)20-21-17-22(16(23)11-24-17)10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3/b20-12-,21-17-.
What are the key properties of (2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-chlorophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 358.85 g/mol, XLogP of 3.59, 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-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127048501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).