2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one

C17H16FN3O2S — CID 136595664

IUPAC2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2S/C(=N\C(C)c3ccccc3F)NC2=O)ccn1
InChIInChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,15H,1-2H3,(H,20,21,22)
InChIKeyIAQWNCUXHPSWDU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.25
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one

2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 136595664) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID136595664
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2S/C(=N\C(C)c3ccccc3F)NC2=O)ccn1
InChIInChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,15H,1-2H3,(H,20,21,22)
InChIKeyIAQWNCUXHPSWDU-UHFFFAOYSA-N
XLogP3.25
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one (CID 136595664) is 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one is COc1cc(C2S/C(=N\C(C)c3ccccc3F)NC2=O)ccn1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is IAQWNCUXHPSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10(12-5-3-4-6-13(12)18)20-17-21-16(22)15(24-17)11-7-8-19-14(9-11)23-2/h3-10,15H,1-2H3,(H,20,21,22).
What are the key properties of 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one?
2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136595664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).