1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C13H13F3N4OS — CID 128560785

IUPAC1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccsn1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)11-3-7-20(17-11)9-1-5-19(6-2-9)12(21)10-4-8-22-18-10/h3-4,7-9H,1-2,5-6H2
InChIKeyFWQBSIBSDFHKTK-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.84
Rot. Bonds2

About 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 128560785) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID128560785
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccsn1)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H13F3N4OS/c14-13(15,16)11-3-7-20(17-11)9-1-5-19(6-2-9)12(21)10-4-8-22-18-10/h3-4,7-9H,1-2,5-6H2
InChIKeyFWQBSIBSDFHKTK-UHFFFAOYSA-N
XLogP2.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 128560785) is 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccsn1)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FWQBSIBSDFHKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c14-13(15,16)11-3-7-20(17-11)9-1-5-19(6-2-9)12(21)10-4-8-22-18-10/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 330.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128560785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).