2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C19H22F3N3S — CID 45489121

IUPAC2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)c1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1
InChIInChI=1S/C19H22F3N3S/c20-19(21,22)15-7-3-2-6-14(15)12-24-11-8-16-17(13-24)26-18(23-16)25-9-4-1-5-10-25/h2-3,6-7H,1,4-5,8-13H2
InChIKeyIVMXOIUUHQYJHQ-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.71
Rot. Bonds3

About 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 45489121) has the molecular formula C19H22F3N3S and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID45489121
Molecular FormulaC19H22F3N3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)c1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1
InChIInChI=1S/C19H22F3N3S/c20-19(21,22)15-7-3-2-6-14(15)12-24-11-8-16-17(13-24)26-18(23-16)25-9-4-1-5-10-25/h2-3,6-7H,1,4-5,8-13H2
InChIKeyIVMXOIUUHQYJHQ-UHFFFAOYSA-N
XLogP4.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 45489121) is 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is FC(F)(F)c1ccccc1CN1CCc2nc(N3CCCCC3)sc2C1.
What is the InChIKey of 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is IVMXOIUUHQYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3S/c20-19(21,22)15-7-3-2-6-14(15)12-24-11-8-16-17(13-24)26-18(23-16)25-9-4-1-5-10-25/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 381.47 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 45489121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).