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

C13H11F3N2S — CID 58617570

IUPAC2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3c(s2)CCNC3)cc1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-8(2-4-9)12-18-10-7-17-6-5-11(10)19-12/h1-4,17H,5-7H2
InChIKeyCUTAUIDZDOAALR-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.47
Rot. Bonds1

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

2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 58617570) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID58617570
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3c(s2)CCNC3)cc1
InChIInChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-8(2-4-9)12-18-10-7-17-6-5-11(10)19-12/h1-4,17H,5-7H2
InChIKeyCUTAUIDZDOAALR-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine (CID 58617570) is 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)c1ccc(-c2nc3c(s2)CCNC3)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is CUTAUIDZDOAALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-13(15,16)9-3-1-8(2-4-9)12-18-10-7-17-6-5-11(10)19-12/h1-4,17H,5-7H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-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-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 58617570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).