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

C12H9F3N2S — CID 114016041

IUPAC2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cc(F)c(-c2nc3c(s2)CNCC3)c(F)c1
InChIInChI=1S/C12H9F3N2S/c13-6-3-7(14)11(8(15)4-6)12-17-9-1-2-16-5-10(9)18-12/h3-4,16H,1-2,5H2
InChIKeyUJULLVPKYMPVDP-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.87
Rot. Bonds1

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

2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 114016041) has the molecular formula C12H9F3N2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID114016041
Molecular FormulaC12H9F3N2S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cc(F)c(-c2nc3c(s2)CNCC3)c(F)c1
InChIInChI=1S/C12H9F3N2S/c13-6-3-7(14)11(8(15)4-6)12-17-9-1-2-16-5-10(9)18-12/h3-4,16H,1-2,5H2
InChIKeyUJULLVPKYMPVDP-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 114016041) is 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Fc1cc(F)c(-c2nc3c(s2)CNCC3)c(F)c1.
What is the InChIKey of 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UJULLVPKYMPVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2S/c13-6-3-7(14)11(8(15)4-6)12-17-9-1-2-16-5-10(9)18-12/h3-4,16H,1-2,5H2.
What are the key properties of 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 270.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 114016041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).