1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone

C15H18N2OS — CID 3512248

IUPAC1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C15H18N2OS/c1-10-5-11(2)8-17(7-10)15(18)12-3-4-13-14(6-12)19-9-16-13/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyKZIKTNGGAIIPRE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.41
Rot. Bonds1

About 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone

1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 3512248) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID3512248
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C15H18N2OS/c1-10-5-11(2)8-17(7-10)15(18)12-3-4-13-14(6-12)19-9-16-13/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyKZIKTNGGAIIPRE-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.41
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-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone (CID 3512248) is 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2ccc3ncsc3c2)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is KZIKTNGGAIIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-5-11(2)8-17(7-10)15(18)12-3-4-13-14(6-12)19-9-16-13/h3-4,6,9-11H,5,7-8H2,1-2H3.
What are the key properties of 1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone?
1,3-benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 3.41, 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-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3512248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).