1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C12H15F3N2OS — CID 131026614

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1nc(C2CCN(C(=O)C(F)(F)F)CC2)sc1C
InChIInChI=1S/C12H15F3N2OS/c1-7-8(2)19-10(16-7)9-3-5-17(6-4-9)11(18)12(13,14)15/h9H,3-6H2,1-2H3
InChIKeyUGGKLQAFJJROIO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.03
Rot. Bonds1

About 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 131026614) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID131026614
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1nc(C2CCN(C(=O)C(F)(F)F)CC2)sc1C
InChIInChI=1S/C12H15F3N2OS/c1-7-8(2)19-10(16-7)9-3-5-17(6-4-9)11(18)12(13,14)15/h9H,3-6H2,1-2H3
InChIKeyUGGKLQAFJJROIO-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 131026614) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is Cc1nc(C2CCN(C(=O)C(F)(F)F)CC2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is UGGKLQAFJJROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7-8(2)19-10(16-7)9-3-5-17(6-4-9)11(18)12(13,14)15/h9H,3-6H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 292.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 131026614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).