3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one

C11H17F3N2OS — CID 166494915

IUPAC3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCC1(C)CSC2CCC(NCC(F)(F)F)C(=O)N21
InChIInChI=1S/C11H17F3N2OS/c1-10(2)6-18-8-4-3-7(9(17)16(8)10)15-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyHETSODUZULYGEI-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.98
Rot. Bonds2

About 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one

3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 166494915) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID166494915
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCC1(C)CSC2CCC(NCC(F)(F)F)C(=O)N21
InChIInChI=1S/C11H17F3N2OS/c1-10(2)6-18-8-4-3-7(9(17)16(8)10)15-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyHETSODUZULYGEI-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one with MolForge

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Related Compounds

Cyclo(-Met-Pro)
CID 6502027
Cyclo-Met-Pro-diketopiperazine
CID 6428989
(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325718
(3R,6S,8aS)-6-(methylamino)-3-(trifluoromethyl)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 143168361
3,3-di(propan-2-yl)-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 160361880
(3R,8aS)-3-(tert-butylsulfanylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 58843274
S-[[(3R)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl] propanethioate
CID 135045721
(3R,6S,8aS)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 154720527
(3R,6S,8aS)-6-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 154720528
(3R,6S)-6-amino-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 176433305
(3R,6S)-6-azido-N-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 176433306
1-(3-methylsulfanylpropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71869624

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 166494915) is 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one is CC1(C)CSC2CCC(NCC(F)(F)F)C(=O)N21.
What is the InChIKey of 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is HETSODUZULYGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-10(2)6-18-8-4-3-7(9(17)16(8)10)15-5-11(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one?
3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 282.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2,2,2-trifluoroethylamino)-6,7,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 166494915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).