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

C15H16F3N3OS — CID 138988972

IUPAC2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccnc1OCC1CCCN(c2nccs2)C1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)12-4-1-5-19-13(12)22-10-11-3-2-7-21(9-11)14-20-6-8-23-14/h1,4-6,8,11H,2-3,7,9-10H2
InChIKeyFSKAIIWHCNFKQA-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.85
Rot. Bonds4

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

2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole (PubChem CID 138988972) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
PubChem CID138988972
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccnc1OCC1CCCN(c2nccs2)C1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)12-4-1-5-19-13(12)22-10-11-3-2-7-21(9-11)14-20-6-8-23-14/h1,4-6,8,11H,2-3,7,9-10H2
InChIKeyFSKAIIWHCNFKQA-UHFFFAOYSA-N
XLogP3.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole (CID 138988972) is 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole is FC(F)(F)c1cccnc1OCC1CCCN(c2nccs2)C1.
What is the InChIKey of 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is FSKAIIWHCNFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)12-4-1-5-19-13(12)22-10-11-3-2-7-21(9-11)14-20-6-8-23-14/h1,4-6,8,11H,2-3,7,9-10H2.
What are the key properties of 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole?
2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 343.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 138988972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).