(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C13H14N2O3S — CID 7752519

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C
InChIInChI=1S/C13H14N2O3S/c1-14-13-15(2)12(17)11(19-13)7-8-4-5-9(16)10(6-8)18-3/h4-7,16H,1-3H3/b11-7-,14-13+
InChIKeyDMNJGQHVWXDZIH-UKCOVKCYSA-N
MW278.33 g/mol
LogP1.93
Rot. Bonds2

About (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 7752519) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID7752519
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C
InChIInChI=1S/C13H14N2O3S/c1-14-13-15(2)12(17)11(19-13)7-8-4-5-9(16)10(6-8)18-3/h4-7,16H,1-3H3/b11-7-,14-13+
InChIKeyDMNJGQHVWXDZIH-UKCOVKCYSA-N
XLogP1.93
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 7752519) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is DMNJGQHVWXDZIH-UKCOVKCYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-14-13-15(2)12(17)11(19-13)7-8-4-5-9(16)10(6-8)18-3/h4-7,16H,1-3H3/b11-7-,14-13+.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 278.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 7752519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).