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

C19H19N3OS — CID 134148566

IUPAC(5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2CC)cc1
InChIInChI=1S/C19H19N3OS/c1-3-14-5-7-16(8-6-14)21-19-22(4-2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19+
InChIKeyPGVJBYGDHBVVHX-WMUNDEBQSA-N
MW337.45 g/mol
LogP4.27
Rot. Bonds4

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

(5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 134148566) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID134148566
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2CC)cc1
InChIInChI=1S/C19H19N3OS/c1-3-14-5-7-16(8-6-14)21-19-22(4-2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19+
InChIKeyPGVJBYGDHBVVHX-WMUNDEBQSA-N
XLogP4.27
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.27
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 134148566) is (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CCc1ccc(/N=C2/S/C(=C\c3ccncc3)C(=O)N2CC)cc1.
What is the InChIKey of (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PGVJBYGDHBVVHX-WMUNDEBQSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-14-5-7-16(8-6-14)21-19-22(4-2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19+.
What are the key properties of (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134148566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).