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

C18H16F3N3OS — CID 135989604

IUPAC5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(c2ccncc2)S1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3N3OS/c1-11(13-5-3-4-6-14(13)18(19,20)21)23-16-24-15(25)17(2,26-16)12-7-9-22-10-8-12/h3-11H,1-2H3,(H,23,24,25)/t11-,17?/m0/s1
InChIKeyFNGSFEFJQAJIRH-PIJUOJQZSA-N
MW379.41 g/mol
LogP4.30
Rot. Bonds3

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

5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989604) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
PubChem CID135989604
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1\NC(=O)C(C)(c2ccncc2)S1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3N3OS/c1-11(13-5-3-4-6-14(13)18(19,20)21)23-16-24-15(25)17(2,26-16)12-7-9-22-10-8-12/h3-11H,1-2H3,(H,23,24,25)/t11-,17?/m0/s1
InChIKeyFNGSFEFJQAJIRH-PIJUOJQZSA-N
XLogP4.30
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,5Z)-2-((2,3-dimethylphenyl)imino)-5-(pyridin-3-ylmethylene)thiazolidin-4-one
CID 135547126
(2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547146
2-(9-Phenyl-nonylsulfanyl)-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470272
2-(8-Phenyl-octylsulfanyl)-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470420
2-(8-Phenyl-octylsulfanyl)-5-pyridin-4-ylmethyl-1H-pyrimidin-4-one
CID 18470482
(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 134148651
5-(pyridin-3-ylmethylene)-2-(3-(trifluoromethyl)phenylamino)thiazol-4(5H)-one
CID 135547119
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834866
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(4-pyridylmethylsulfanyl)-1H-pyrimidin-6-one
CID 136169602
5-(6-Methyl-pyridin-3-ylmethyl)-2-phenethylsulfanyl-1H-pyrimidin-4-one
CID 18470422
2-Benzylsulfanyl-5-(6-methyl-pyridin-3-ylmethyl)-1H-pyrimidin-4-one
CID 18470432
2-(6-Phenyl-hexylsulfanyl)-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470474

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one (CID 135989604) is 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one is C[C@H](/N=C1\NC(=O)C(C)(c2ccncc2)S1)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one?
The InChIKey is FNGSFEFJQAJIRH-PIJUOJQZSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-11(13-5-3-4-6-14(13)18(19,20)21)23-16-24-15(25)17(2,26-16)12-7-9-22-10-8-12/h3-11H,1-2H3,(H,23,24,25)/t11-,17?/m0/s1.
What are the key properties of 5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one?
5-methyl-5-pyridin-4-yl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one has a molecular weight of 379.41 g/mol, XLogP of 4.30, 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-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).