1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H13F3N2OS — CID 24981621

IUPAC1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)10-2-1-5-19(7-10)13(20)9-3-4-11-12(6-9)21-8-18-11/h3-4,6,8,10H,1-2,5,7H2
InChIKeyBQZCVTKNFOUIBT-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.71
Rot. Bonds1

About 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 24981621) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID24981621
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)10-2-1-5-19(7-10)13(20)9-3-4-11-12(6-9)21-8-18-11/h3-4,6,8,10H,1-2,5,7H2
InChIKeyBQZCVTKNFOUIBT-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 24981621) is 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BQZCVTKNFOUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)10-2-1-5-19(7-10)13(20)9-3-4-11-12(6-9)21-8-18-11/h3-4,6,8,10H,1-2,5,7H2.
What are the key properties of 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 314.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24981621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).