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

C10H11F3N2OS — CID 63038430

IUPAC1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h5-7H,1-4H2
InChIKeyBOICOMVHEMMONH-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.56
Rot. Bonds1

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

1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 63038430) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID63038430
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h5-7H,1-4H2
InChIKeyBOICOMVHEMMONH-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 63038430) is 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cscn1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BOICOMVHEMMONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h5-7H,1-4H2.
What are the key properties of 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 264.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63038430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).