1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

C10H9F3N2OS — CID 122332091

IUPAC1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCSC1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)8-2-1-7(5-14-8)9(16)15-3-4-17-6-15/h1-2,5H,3-4,6H2
InChIKeyFKZNEXDYPQQQHK-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.25
Rot. Bonds1

About 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 122332091) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID122332091
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCSC1
InChIInChI=1S/C10H9F3N2OS/c11-10(12,13)8-2-1-7(5-14-8)9(16)15-3-4-17-6-15/h1-2,5H,3-4,6H2
InChIKeyFKZNEXDYPQQQHK-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
(7-thiophen-2-yl-1,4-thiazepan-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 90632884
(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135118218
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
thiomorpholin-4-yl-[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]methanone
CID 171323585
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 122332091) is 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCSC1.
What is the InChIKey of 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is FKZNEXDYPQQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c11-10(12,13)8-2-1-7(5-14-8)9(16)15-3-4-17-6-15/h1-2,5H,3-4,6H2.
What are the key properties of 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 262.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 122332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).