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

C19H20FN3O2S — CID 143468229

IUPAC2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCCC(/N=C1/NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-4-15(12-5-7-14(20)8-6-12)22-18-23-17(24)19(2,26-18)13-9-10-21-16(11-13)25-3/h5-11,15H,4H2,1-3H3,(H,22,23,24)
InChIKeyIIZJQAHXWVRYAD-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.81
Rot. Bonds5

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

2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 143468229) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID143468229
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCCC(/N=C1/NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-4-15(12-5-7-14(20)8-6-12)22-18-23-17(24)19(2,26-18)13-9-10-21-16(11-13)25-3/h5-11,15H,4H2,1-3H3,(H,22,23,24)
InChIKeyIIZJQAHXWVRYAD-UHFFFAOYSA-N
XLogP3.81
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.81
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-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one (CID 143468229) is 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one is CCC(/N=C1/NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is IIZJQAHXWVRYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-4-15(12-5-7-14(20)8-6-12)22-18-23-17(24)19(2,26-18)13-9-10-21-16(11-13)25-3/h5-11,15H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one?
2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 373.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propylimino]-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).