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

C13H11F3N2S — CID 62548928

IUPAC2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-2-8(6-9)12-18-10-4-5-17-7-11(10)19-12/h1-3,6,17H,4-5,7H2
InChIKeyKKPDOBNLLGGNGV-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.47
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62548928) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62548928
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-2-8(6-9)12-18-10-4-5-17-7-11(10)19-12/h1-3,6,17H,4-5,7H2
InChIKeyKKPDOBNLLGGNGV-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114077278
2-(2,6-dichlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549980
2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114016041
N-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975563
N-methyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079868
4-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]morpholine
CID 171365331
2-(7-chloro-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 55085549
2-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79718175
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 25011866
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 57420837
3-(2,4-difluorophenyl)-6-methyl-2-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]heptan-3-ol
CID 123260400
2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 55085547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62548928) is 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)(F)c1cccc(-c2nc3c(s2)CNCC3)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is KKPDOBNLLGGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-2-8(6-9)12-18-10-4-5-17-7-11(10)19-12/h1-3,6,17H,4-5,7H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 284.31 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62548928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).