1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol

C19H24F3N3OS — CID 126813777

IUPAC1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CN(C)C2CCN(c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H24F3N3OS/c1-13(26)17-11-23-18(27-17)12-24(2)14-7-9-25(10-8-14)16-6-4-3-5-15(16)19(20,21)22/h3-6,11,13-14,26H,7-10,12H2,1-2H3
InChIKeyCFCVIZXZIHBRMT-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.32
Rot. Bonds5

About 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol

1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 126813777) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol
PubChem CID126813777
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC Name1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CN(C)C2CCN(c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H24F3N3OS/c1-13(26)17-11-23-18(27-17)12-24(2)14-7-9-25(10-8-14)16-6-4-3-5-15(16)19(20,21)22/h3-6,11,13-14,26H,7-10,12H2,1-2H3
InChIKeyCFCVIZXZIHBRMT-UHFFFAOYSA-N
XLogP4.32
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol (CID 126813777) is 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CN(C)C2CCN(c3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is CFCVIZXZIHBRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c1-13(26)17-11-23-18(27-17)12-24(2)14-7-9-25(10-8-14)16-6-4-3-5-15(16)19(20,21)22/h3-6,11,13-14,26H,7-10,12H2,1-2H3.
What are the key properties of 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 399.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[methyl-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]methyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 126813777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).