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

C17H17F3N2O3S — CID 174659518

IUPAC2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-2-4-14(13)25-11-5-7-22(8-6-11)16-21-10-12(26-16)9-15(23)24/h1-4,10-11H,5-9H2,(H,23,24)
InChIKeyZTLZTXGVRQONDQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.84
Rot. Bonds5

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

2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 174659518) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid
PubChem CID174659518
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-2-4-14(13)25-11-5-7-22(8-6-11)16-21-10-12(26-16)9-15(23)24/h1-4,10-11H,5-9H2,(H,23,24)
InChIKeyZTLZTXGVRQONDQ-UHFFFAOYSA-N
XLogP3.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid (CID 174659518) is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZTLZTXGVRQONDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-2-4-14(13)25-11-5-7-22(8-6-11)16-21-10-12(26-16)9-15(23)24/h1-4,10-11H,5-9H2,(H,23,24).
What are the key properties of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 386.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 174659518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).