5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one

C17H14F3N3OS — CID 143147192

IUPAC5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC1(c2ccncc2)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C17H14F3N3OS/c1-16(12-6-8-21-9-7-12)14(24)23-15(25-16)22-10-11-4-2-3-5-13(11)17(18,19)20/h2-9H,10H2,1H3,(H,22,23,24)
InChIKeyCAOSQYZXKGVFFT-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.73
Rot. Bonds3

About 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one

5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (PubChem CID 143147192) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
PubChem CID143147192
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC1(c2ccncc2)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C17H14F3N3OS/c1-16(12-6-8-21-9-7-12)14(24)23-15(25-16)22-10-11-4-2-3-5-13(11)17(18,19)20/h2-9H,10H2,1H3,(H,22,23,24)
InChIKeyCAOSQYZXKGVFFT-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (CID 143147192) is 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is CC1(c2ccncc2)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The InChIKey is CAOSQYZXKGVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-16(12-6-8-21-9-7-12)14(24)23-15(25-16)22-10-11-4-2-3-5-13(11)17(18,19)20/h2-9H,10H2,1H3,(H,22,23,24).
What are the key properties of 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one has a molecular weight of 365.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 143147192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).