2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C17H14F3N3OS — CID 135498243

IUPAC2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N=C2NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)n1
InChIInChI=1S/C17H14F3N3OS/c1-10-4-2-7-14(21-10)22-16-23-15(24)13(25-16)9-11-5-3-6-12(8-11)17(18,19)20/h2-8,13H,9H2,1H3,(H,21,22,23,24)
InChIKeyIGJBAVRAVZQXCW-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.87
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135498243) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135498243
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N=C2NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)n1
InChIInChI=1S/C17H14F3N3OS/c1-10-4-2-7-14(21-10)22-16-23-15(24)13(25-16)9-11-5-3-6-12(8-11)17(18,19)20/h2-8,13H,9H2,1H3,(H,21,22,23,24)
InChIKeyIGJBAVRAVZQXCW-UHFFFAOYSA-N
XLogP3.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135665721
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574
(5R)-2-(4-fluorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135690239
(5S)-2-(4-chlorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555571
(5S)-2-(4-bromophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135912748
[4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]carbamic acid
CID 174560495
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135483442
(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 136906266
(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665258
(2Z)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135529616

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135498243) is 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is Cc1cccc(N=C2NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is IGJBAVRAVZQXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-10-4-2-7-14(21-10)22-16-23-15(24)13(25-16)9-11-5-3-6-12(8-11)17(18,19)20/h2-8,13H,9H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 365.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).