(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C13H15N3O3S — CID 135631930

IUPAC(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC
InChIInChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+
InChIKeyDNGICLDNUWELDA-VGOFMYFVSA-N
MW293.35 g/mol
LogP1.65
Rot. Bonds4

About (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135631930) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135631930
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC
InChIInChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+
InChIKeyDNGICLDNUWELDA-VGOFMYFVSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135631930) is (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is COc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC.
What is the InChIKey of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is DNGICLDNUWELDA-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-4-5-10(18-2)11(6-9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+.
What are the key properties of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135631930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).