6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C12H15F3N2OS — CID 133383794

IUPAC6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESFC(F)(F)c1csc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)10-7-19-11(16-10)17-4-3-9-8(6-17)2-1-5-18-9/h7-9H,1-6H2
InChIKeyKIRDSTWVKOWHFM-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.17
Rot. Bonds1

About 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 133383794) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID133383794
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESFC(F)(F)c1csc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)10-7-19-11(16-10)17-4-3-9-8(6-17)2-1-5-18-9/h7-9H,1-6H2
InChIKeyKIRDSTWVKOWHFM-UHFFFAOYSA-N
XLogP3.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 133383794) is 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is FC(F)(F)c1csc(N2CCC3OCCCC3C2)n1.
What is the InChIKey of 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is KIRDSTWVKOWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c13-12(14,15)10-7-19-11(16-10)17-4-3-9-8(6-17)2-1-5-18-9/h7-9H,1-6H2.
What are the key properties of 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 292.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 133383794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).