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

C16H12F3N3OS — CID 135989057

IUPAC5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC1(c2ccncc2)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C16H12F3N3OS/c1-15(10-6-8-20-9-7-10)13(23)22-14(24-15)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,22,23)
InChIKeyDBVGTDLVURLHDV-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.87
Rot. Bonds2

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

5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989057) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135989057
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC1(c2ccncc2)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C16H12F3N3OS/c1-15(10-6-8-20-9-7-10)13(23)22-14(24-15)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,22,23)
InChIKeyDBVGTDLVURLHDV-UHFFFAOYSA-N
XLogP3.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
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

2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319
(2E,5Z)-5-(3-fluorobenzylidene)-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135506644
(2Z,5Z)-2-[(3-methylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547125
(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-Isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989733
3-Methyl-2-(phenylimino)-5-(4-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 6342914
(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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135989057) is 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CC1(c2ccncc2)S/C(=N/c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is DBVGTDLVURLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c1-15(10-6-8-20-9-7-10)13(23)22-14(24-15)21-12-5-3-2-4-11(12)16(17,18)19/h2-9H,1H3,(H,21,22,23).
What are the key properties of 5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 351.35 g/mol, XLogP of 3.87, 2 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]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).