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

C16H17F3N4O2S — CID 46880802

IUPAC[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea
SMILESNC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)25-10-5-7-23(8-6-10)15-21-9-13(26-15)22-14(20)24/h1-4,9-10H,5-8H2,(H3,20,22,24)
InChIKeyUBDSEVWWOAKNKK-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.70
Rot. Bonds4

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

[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea (PubChem CID 46880802) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea.

Molecular Properties

Compound Name[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea
PubChem CID46880802
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea
SMILESNC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)25-10-5-7-23(8-6-10)15-21-9-13(26-15)22-14(20)24/h1-4,9-10H,5-8H2,(H3,20,22,24)
InChIKeyUBDSEVWWOAKNKK-UHFFFAOYSA-N
XLogP3.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea?
The IUPAC name of [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea (CID 46880802) is [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea.
What is the SMILES notation for [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea?
The canonical SMILES for [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea is NC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea?
The InChIKey is UBDSEVWWOAKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)25-10-5-7-23(8-6-10)15-21-9-13(26-15)22-14(20)24/h1-4,9-10H,5-8H2,(H3,20,22,24).
What are the key properties of [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea?
[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea has a molecular weight of 386.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]urea is sourced from PubChem (CID 46880802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).