2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

C8H9F3N2OS — CID 138670629

IUPAC2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-7-13-5-3-12-2-1-6(5)15-7/h12H,1-4H2
InChIKeyOCBXAUUDUZVJCZ-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.73
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 138670629) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID138670629
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)COc1nc2c(s1)CCNC2
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-7-13-5-3-12-2-1-6(5)15-7/h12H,1-4H2
InChIKeyOCBXAUUDUZVJCZ-UHFFFAOYSA-N
XLogP1.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-2-(3-(piperidin-1-yl)propoxy)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
CID 52941311
5-Methyl-2-(3-(piperidin-1-yl)propoxy)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
CID 52941318
N,N-dimethyl-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridin-2-yloxy)propan-1-amine
CID 52947031
2-methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine dihydrochloride
CID 155822244
2-(trifluoromethyl)-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine hydrochloride
CID 155822641
{4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridin-2-yl}methanol dihydrochloride
CID 177798364
2-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
CID 21139043
2-(Trifluoromethyl)-4,5,6,7-tetrahydrothiazolo[4,5-C]pyridine
CID 53393365
2-(Trifluoromethyl)-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine hydrochloride
CID 67240464
2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
CID 68251418
2-(Trifluoromethyl)-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine
CID 72212374
2-(Difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 84771491

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 138670629) is 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)COc1nc2c(s1)CCNC2.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is OCBXAUUDUZVJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-7-13-5-3-12-2-1-6(5)15-7/h12H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 238.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 138670629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).