(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C17H16ClN3OS2 — CID 18844876

IUPAC(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)S/C1=N/c1nc(C)cs1
InChIInChI=1S/C17H16ClN3OS2/c1-4-21-15(22)14(11(3)12-5-7-13(18)8-6-12)24-17(21)20-16-19-10(2)9-23-16/h5-9H,4H2,1-3H3/b14-11-,20-17+
InChIKeyPJGJRTWTNQMUTH-AJTXDVGESA-N
MW377.92 g/mol
LogP5.12
Rot. Bonds3

About (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18844876) has the molecular formula C17H16ClN3OS2 and a molecular weight of 377.92 g/mol. Its IUPAC name is (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID18844876
Molecular FormulaC17H16ClN3OS2
Molecular Weight377.92 g/mol
Exact Mass377.04
IUPAC Name(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)S/C1=N/c1nc(C)cs1
InChIInChI=1S/C17H16ClN3OS2/c1-4-21-15(22)14(11(3)12-5-7-13(18)8-6-12)24-17(21)20-16-19-10(2)9-23-16/h5-9H,4H2,1-3H3/b14-11-,20-17+
InChIKeyPJGJRTWTNQMUTH-AJTXDVGESA-N
XLogP5.12
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.12
H-Bond Donors ≤ 50
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 (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-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 (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18844876) is (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)S/C1=N/c1nc(C)cs1.
What is the InChIKey of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is PJGJRTWTNQMUTH-AJTXDVGESA-N. The full InChI is InChI=1S/C17H16ClN3OS2/c1-4-21-15(22)14(11(3)12-5-7-13(18)8-6-12)24-17(21)20-16-19-10(2)9-23-16/h5-9H,4H2,1-3H3/b14-11-,20-17+.
What are the key properties of (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 377.92 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).