(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H10N4OS — CID 137100920

IUPAC(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)c1ccncc1
InChIInChI=1S/C10H10N4OS/c1-7(8-2-4-11-5-3-8)13-14-10-12-9(15)6-16-10/h2-5H,6H2,1H3,(H,12,14,15)/b13-7+
InChIKeyPXQSRKXXQZJTGD-NTUHNPAUSA-N
MW234.28 g/mol
LogP1.02
Rot. Bonds2

About (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137100920) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137100920
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)c1ccncc1
InChIInChI=1S/C10H10N4OS/c1-7(8-2-4-11-5-3-8)13-14-10-12-9(15)6-16-10/h2-5H,6H2,1H3,(H,12,14,15)/b13-7+
InChIKeyPXQSRKXXQZJTGD-NTUHNPAUSA-N
XLogP1.02
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.02
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

(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135743595
2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172943379
(2Z)-2-(1-thiophen-2-ylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135760177
2-[1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135498282
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100903
(2Z)-2-[1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135996955
(2E)-2-[(Z)-1-(2-bromo-4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137014977
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137167956
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
(6R)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxylic acid
CID 137230444
(2Z)-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135529664
(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473038

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137100920) is (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)CS1)c1ccncc1.
What is the InChIKey of (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PXQSRKXXQZJTGD-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7(8-2-4-11-5-3-8)13-14-10-12-9(15)6-16-10/h2-5H,6H2,1H3,(H,12,14,15)/b13-7+.
What are the key properties of (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137100920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).