(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C15H13N3O3S2 — CID 1416668

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1nccs1
InChIInChI=1S/C15H13N3O3S2/c1-20-10-4-3-9(7-11(10)21-2)8-12-13(19)18(14(16)23-12)15-17-5-6-22-15/h3-8,16H,1-2H3/b12-8-,16-14-
InChIKeyWEDLBIIPKYTHPW-ZAPVNNSISA-N
MW347.42 g/mol
LogP3.22
Rot. Bonds4

About (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1416668) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1416668
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1nccs1
InChIInChI=1S/C15H13N3O3S2/c1-20-10-4-3-9(7-11(10)21-2)8-12-13(19)18(14(16)23-12)15-17-5-6-22-15/h3-8,16H,1-2H3/b12-8-,16-14-
InChIKeyWEDLBIIPKYTHPW-ZAPVNNSISA-N
XLogP3.22
TPSA75.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1416668) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is WEDLBIIPKYTHPW-ZAPVNNSISA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-20-10-4-3-9(7-11(10)21-2)8-12-13(19)18(14(16)23-12)15-17-5-6-22-15/h3-8,16H,1-2H3/b12-8-,16-14-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1416668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).