2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H13N3O2S — CID 172943379

IUPAC2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C(C)=N\N=C2NC(=O)CS2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8(9-3-5-10(17-2)6-4-9)14-15-12-13-11(16)7-18-12/h3-6H,7H2,1-2H3,(H,13,15,16)/b14-8-
InChIKeyTYBRMYPGUSLXQJ-ZSOIEALJSA-N
MW263.32 g/mol
LogP1.64
Rot. Bonds3

About 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172943379) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172943379
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C(C)=N\N=C2NC(=O)CS2)cc1
InChIInChI=1S/C12H13N3O2S/c1-8(9-3-5-10(17-2)6-4-9)14-15-12-13-11(16)7-18-12/h3-6H,7H2,1-2H3,(H,13,15,16)/b14-8-
InChIKeyTYBRMYPGUSLXQJ-ZSOIEALJSA-N
XLogP1.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 172943379) is 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(/C(C)=N\N=C2NC(=O)CS2)cc1.
What is the InChIKey of 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is TYBRMYPGUSLXQJ-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(9-3-5-10(17-2)6-4-9)14-15-12-13-11(16)7-18-12/h3-6H,7H2,1-2H3,(H,13,15,16)/b14-8-.
What are the key properties of 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 263.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172943379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).