(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C18H17N3OS — CID 5455880

IUPAC(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1
InChIInChI=1S/C18H17N3OS/c1-3-13-4-6-15(7-5-13)20-18-21(2)17(22)16(23-18)12-14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/b16-12-,20-18+
InChIKeyYFUMNIDYRFWCJZ-SWTGTHOSSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds3

About (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 5455880) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID5455880
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1
InChIInChI=1S/C18H17N3OS/c1-3-13-4-6-15(7-5-13)20-18-21(2)17(22)16(23-18)12-14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/b16-12-,20-18+
InChIKeyYFUMNIDYRFWCJZ-SWTGTHOSSA-N
XLogP3.88
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-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)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 5455880) is (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2C)cc1.
What is the InChIKey of (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is YFUMNIDYRFWCJZ-SWTGTHOSSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-3-13-4-6-15(7-5-13)20-18-21(2)17(22)16(23-18)12-14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/b16-12-,20-18+.
What are the key properties of (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-ethylphenyl)imino-3-methyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).