(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H16FN3OS — CID 18842324

IUPAC(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1
InChIInChI=1S/C18H16FN3OS/c1-3-22-17(23)16(12(2)13-6-8-14(19)9-7-13)24-18(22)21-15-5-4-10-20-11-15/h4-11H,3H2,1-2H3/b16-12-,21-18+
InChIKeyPTLDBPQOFQEXMS-FNPJPCFQSA-N
MW341.41 g/mol
LogP4.23
Rot. Bonds3

About (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842324) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842324
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1
InChIInChI=1S/C18H16FN3OS/c1-3-22-17(23)16(12(2)13-6-8-14(19)9-7-13)24-18(22)21-15-5-4-10-20-11-15/h4-11H,3H2,1-2H3/b16-12-,21-18+
InChIKeyPTLDBPQOFQEXMS-FNPJPCFQSA-N
XLogP4.23
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.23
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-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842324) is (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1.
What is the InChIKey of (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is PTLDBPQOFQEXMS-FNPJPCFQSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-3-22-17(23)16(12(2)13-6-8-14(19)9-7-13)24-18(22)21-15-5-4-10-20-11-15/h4-11H,3H2,1-2H3/b16-12-,21-18+.
What are the key properties of (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 341.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[1-(4-fluorophenyl)ethylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).