4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane

C14H20F3N3OS — CID 138033608

IUPAC4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane
SMILESFC(F)(F)c1cnc(N2CCC(N3CCCOCC3)CC2)s1
InChIInChI=1S/C14H20F3N3OS/c15-14(16,17)12-10-18-13(22-12)20-5-2-11(3-6-20)19-4-1-8-21-9-7-19/h10-11H,1-9H2
InChIKeyFKQDESWQHJEOGM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.85
Rot. Bonds2

About 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane

4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane (PubChem CID 138033608) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane
PubChem CID138033608
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane
SMILESFC(F)(F)c1cnc(N2CCC(N3CCCOCC3)CC2)s1
InChIInChI=1S/C14H20F3N3OS/c15-14(16,17)12-10-18-13(22-12)20-5-2-11(3-6-20)19-4-1-8-21-9-7-19/h10-11H,1-9H2
InChIKeyFKQDESWQHJEOGM-UHFFFAOYSA-N
XLogP2.85
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane?
The IUPAC name of 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane (CID 138033608) is 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane.
What is the SMILES notation for 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane?
The canonical SMILES for 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane is FC(F)(F)c1cnc(N2CCC(N3CCCOCC3)CC2)s1.
What is the InChIKey of 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane?
The InChIKey is FKQDESWQHJEOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c15-14(16,17)12-10-18-13(22-12)20-5-2-11(3-6-20)19-4-1-8-21-9-7-19/h10-11H,1-9H2.
What are the key properties of 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane?
4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane has a molecular weight of 335.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,4-oxazepane is sourced from PubChem (CID 138033608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).