3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one

C16H20N2O2S — CID 5309642

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESCC1CCCC(C)N1C(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H20N2O2S/c1-11-6-5-7-12(2)18(11)15(19)10-17-13-8-3-4-9-14(13)21-16(17)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyBEDYJLSDIFLTOR-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.85
Rot. Bonds2

About 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one

3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (PubChem CID 5309642) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
PubChem CID5309642
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
SMILESCC1CCCC(C)N1C(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C16H20N2O2S/c1-11-6-5-7-12(2)18(11)15(19)10-17-13-8-3-4-9-14(13)21-16(17)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3
InChIKeyBEDYJLSDIFLTOR-UHFFFAOYSA-N
XLogP2.85
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one (CID 5309642) is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is CC1CCCC(C)N1C(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
The InChIKey is BEDYJLSDIFLTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-6-5-7-12(2)18(11)15(19)10-17-13-8-3-4-9-14(13)21-16(17)20/h3-4,8-9,11-12H,5-7,10H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one?
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one has a molecular weight of 304.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 5309642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).