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

C17H17N3O4S — CID 5350879

IUPAC(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(/C=N/N=C2\SCC(=O)N2Cc2ccco2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-13-5-6-15(23-2)12(8-13)9-18-19-17-20(16(21)11-25-17)10-14-4-3-7-24-14/h3-9H,10-11H2,1-2H3/b18-9+,19-17-
InChIKeyXAVIGUQINUWVRF-LDRVEFRDSA-N
MW359.41 g/mol
LogP2.76
Rot. Bonds6

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

(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 5350879) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID5350879
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(/C=N/N=C2\SCC(=O)N2Cc2ccco2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-13-5-6-15(23-2)12(8-13)9-18-19-17-20(16(21)11-25-17)10-14-4-3-7-24-14/h3-9H,10-11H2,1-2H3/b18-9+,19-17-
InChIKeyXAVIGUQINUWVRF-LDRVEFRDSA-N
XLogP2.76
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 5350879) is (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(/C=N/N=C2\SCC(=O)N2Cc2ccco2)c1.
What is the InChIKey of (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is XAVIGUQINUWVRF-LDRVEFRDSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-13-5-6-15(23-2)12(8-13)9-18-19-17-20(16(21)11-25-17)10-14-4-3-7-24-14/h3-9H,10-11H2,1-2H3/b18-9+,19-17-.
What are the key properties of (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 359.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5350879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).