(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H13N3O3S — CID 135641784

IUPAC(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=N/N=C2\NC(=O)CS2)c1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-5-3-4-8(11(9)18-2)6-13-15-12-14-10(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+
InChIKeyVUQFLUMMOWOYDE-AWNIVKPZSA-N
MW279.32 g/mol
LogP1.26
Rot. Bonds4

About (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135641784) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135641784
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=N/N=C2\NC(=O)CS2)c1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-5-3-4-8(11(9)18-2)6-13-15-12-14-10(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+
InChIKeyVUQFLUMMOWOYDE-AWNIVKPZSA-N
XLogP1.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
3-[(E)-[(2-Hydroxy-3-methoxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135476836
(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135419868
(Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazono)thiazolidine-4-one (17)
CID 136161879
(2E)-2-{(2E)-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628897
3-methoxybenzaldehyde [(2E)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135981156
2-[(3,4,5-Trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135443957
4-Hydroxy-3,5-dimethoxybenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135519180
(Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazono)thiazolidine-4-one (12)
CID 135572138
(Z)-2-((Z)-(2,4-Dimethoxybenzoylidine)hydrazono)thiazolidine-4-one (18)
CID 136087459
(E)-2((E)-(3-Bromo-4,5-dimethoxybenzylidene)hydrazono) thiazolidine-4-one (7)
CID 137014975
(2Z)-2-[(E)-(3-methoxy-4-phenoxy-phenyl)methylenehydrazono]thiazolidin-4-one
CID 135511258

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135641784) is (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cccc(/C=N/N=C2\NC(=O)CS2)c1OC.
What is the InChIKey of (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VUQFLUMMOWOYDE-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-9-5-3-4-8(11(9)18-2)6-13-15-12-14-10(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6+.
What are the key properties of (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,3-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135641784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).