(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one

C17H16ClN3OS — CID 5372276

IUPAC(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C=CC=CN2C)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c1-3-21-16(22)15(14-6-4-5-11-20(14)2)23-17(21)19-13-9-7-12(18)8-10-13/h4-11H,3H2,1-2H3/b15-14+,19-17-
InChIKeyFCCGUHZGLPKHPW-GMXJTBKTSA-N
MW345.86 g/mol
LogP4.15
Rot. Bonds2

About (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one

(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one (PubChem CID 5372276) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one
PubChem CID5372276
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C=CC=CN2C)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c1-3-21-16(22)15(14-6-4-5-11-20(14)2)23-17(21)19-13-9-7-12(18)8-10-13/h4-11H,3H2,1-2H3/b15-14+,19-17-
InChIKeyFCCGUHZGLPKHPW-GMXJTBKTSA-N
XLogP4.15
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.15
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 (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-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 (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one (CID 5372276) is (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C2/C=CC=CN2C)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one?
The InChIKey is FCCGUHZGLPKHPW-GMXJTBKTSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-3-21-16(22)15(14-6-4-5-11-20(14)2)23-17(21)19-13-9-7-12(18)8-10-13/h4-11H,3H2,1-2H3/b15-14+,19-17-.
What are the key properties of (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one?
(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one has a molecular weight of 345.86 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-chlorophenyl)imino-3-ethyl-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5372276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).