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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Related Compounds

5-(2-Methoxy-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470163
2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one
CID 11552223
(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one
CID 58048097
5-[difluoro-(2-methoxy-4-pyridinyl)methyl]-2-[(2R)-2-(4-fluorophenyl)propyl]-5-methyl-1,3-thiazol-4-one
CID 58048190
(5R)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one
CID 58048314
5-[difluoro-(2-methoxy-4-pyridinyl)methyl]-2-[(2R)-2-(2-fluorophenyl)propyl]-5-methyl-1,3-thiazol-4-one
CID 58048430
N-[(7aR)-7a-methyl-4-[[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-3aH-1,3-benzothiazol-2-yl]acetamide
CID 71206250
3-[5-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-3,4-dihydro-2H-pyrrol-3-yl]-2-methylsulfanylpropanamide
CID 134591603
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one
CID 135611127
2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazolidin-4-one
CID 135611149
5-[difluoro-(2-methoxypyridin-4-yl)methyl]-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
CID 135989235
(5R)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
CID 135989267

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).