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

C17H15N3OS — CID 135834866

IUPAC(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\NC(=O)/C(=C/c3ccncc3)S2)cc1
InChIInChI=1S/C17H15N3OS/c1-2-12-3-5-14(6-4-12)19-17-20-16(21)15(22-17)11-13-7-9-18-10-8-13/h3-11H,2H2,1H3,(H,19,20,21)/b15-11-
InChIKeyAJGMYXRNCCOOGW-PTNGSMBKSA-N
MW309.39 g/mol
LogP3.54
Rot. Bonds3

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

(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135834866) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135834866
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\NC(=O)/C(=C/c3ccncc3)S2)cc1
InChIInChI=1S/C17H15N3OS/c1-2-12-3-5-14(6-4-12)19-17-20-16(21)15(22-17)11-13-7-9-18-10-8-13/h3-11H,2H2,1H3,(H,19,20,21)/b15-11-
InChIKeyAJGMYXRNCCOOGW-PTNGSMBKSA-N
XLogP3.54
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
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-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-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 135834866) is (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccncc3)S2)cc1.
What is the InChIKey of (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is AJGMYXRNCCOOGW-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-12-3-5-14(6-4-12)19-17-20-16(21)15(22-17)11-13-7-9-18-10-8-13/h3-11H,2H2,1H3,(H,19,20,21)/b15-11-.
What are the key properties of (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).