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

C16H17F3N4O2S — CID 58242732

IUPAC1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC(=O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C16H17F3N4O2S/c1-10(24)12-9-26-15(20-12)11-2-5-22(6-3-11)14(25)8-23-7-4-13(21-23)16(17,18)19/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyLSYSGUQCNRIZOU-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.97
Rot. Bonds4

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

1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 58242732) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID58242732
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC(=O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C16H17F3N4O2S/c1-10(24)12-9-26-15(20-12)11-2-5-22(6-3-11)14(25)8-23-7-4-13(21-23)16(17,18)19/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyLSYSGUQCNRIZOU-UHFFFAOYSA-N
XLogP2.97
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 58242732) is 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC(=O)c1csc(C2CCN(C(=O)Cn3ccc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is LSYSGUQCNRIZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-10(24)12-9-26-15(20-12)11-2-5-22(6-3-11)14(25)8-23-7-4-13(21-23)16(17,18)19/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 386.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 58242732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).