5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole

C16H18F3N3OS — CID 171705101

IUPAC5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCCC(COc3ccnc(C(F)(F)F)c3)C2)s1
InChIInChI=1S/C16H18F3N3OS/c1-11-8-21-15(24-11)22-6-2-3-12(9-22)10-23-13-4-5-20-14(7-13)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyQMRKLTCYBHLHDA-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.16
Rot. Bonds4

About 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole

5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole (PubChem CID 171705101) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
PubChem CID171705101
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCCC(COc3ccnc(C(F)(F)F)c3)C2)s1
InChIInChI=1S/C16H18F3N3OS/c1-11-8-21-15(24-11)22-6-2-3-12(9-22)10-23-13-4-5-20-14(7-13)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3
InChIKeyQMRKLTCYBHLHDA-UHFFFAOYSA-N
XLogP4.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole (CID 171705101) is 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole is Cc1cnc(N2CCCC(COc3ccnc(C(F)(F)F)c3)C2)s1.
What is the InChIKey of 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is QMRKLTCYBHLHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-11-8-21-15(24-11)22-6-2-3-12(9-22)10-23-13-4-5-20-14(7-13)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3.
What are the key properties of 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 357.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 171705101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).