2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

C11H13N3O2S — CID 135444860

IUPAC2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=NN)NC2=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-16-8-4-2-7(3-5-8)6-9-10(15)13-11(14-12)17-9/h2-5,9H,6,12H2,1H3,(H,13,14,15)
InChIKeyXPBUEQXRHLOKLT-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.70
Rot. Bonds3

About 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135444860) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135444860
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2SC(=NN)NC2=O)cc1
InChIInChI=1S/C11H13N3O2S/c1-16-8-4-2-7(3-5-8)6-9-10(15)13-11(14-12)17-9/h2-5,9H,6,12H2,1H3,(H,13,14,15)
InChIKeyXPBUEQXRHLOKLT-UHFFFAOYSA-N
XLogP0.70
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-(4-fluorophenyl)imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455198
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135617322
(2E,5S)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135749663
2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 137206228
(2Z,5R)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135896137
(2E,5S)-5-[(4-fluorophenyl)methyl]-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749691
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2Z,5S)-5-[(4-bromophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135920461
5-[(4-methoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486250
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135949645
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135444860) is 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(CC2SC(=NN)NC2=O)cc1.
What is the InChIKey of 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is XPBUEQXRHLOKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-8-4-2-7(3-5-8)6-9-10(15)13-11(14-12)17-9/h2-5,9H,6,12H2,1H3,(H,13,14,15).
What are the key properties of 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135444860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).