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

C17H17N5OS — CID 127053171

IUPAC(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C17H17N5OS/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,10-11,18H2,1H3/b20-12-,21-17-
InChIKeyAHJBHWHINMJLTI-HQNBIQMISA-N
MW339.42 g/mol
LogP2.52
Rot. Bonds4

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

(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127053171) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127053171
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C17H17N5OS/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,10-11,18H2,1H3/b20-12-,21-17-
InChIKeyAHJBHWHINMJLTI-HQNBIQMISA-N
XLogP2.52
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
(2S)-2-amino-3-[4-(pyridin-2-yl)phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 23645385
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
N-(4-isopropylphenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032798
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127053171) is (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1ccccn1.
What is the InChIKey of (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AHJBHWHINMJLTI-HQNBIQMISA-N. The full InChI is InChI=1S/C17H17N5OS/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,10-11,18H2,1H3/b20-12-,21-17-.
What are the key properties of (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 339.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-aminophenyl)methyl]-2-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127053171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).