2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

C16H23N3O2S — CID 57392405

IUPAC2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1
InChIInChI=1S/C16H23N3O2S/c1-16(2)7-4-8-19(10-16)9-13(21)18-15-17-11-5-3-6-12(20)14(11)22-15/h3-10H2,1-2H3,(H,17,18,21)
InChIKeyNEGKZCWPPUOWJE-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.72
Rot. Bonds3

About 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide

2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 57392405) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID57392405
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1
InChIInChI=1S/C16H23N3O2S/c1-16(2)7-4-8-19(10-16)9-13(21)18-15-17-11-5-3-6-12(20)14(11)22-15/h3-10H2,1-2H3,(H,17,18,21)
InChIKeyNEGKZCWPPUOWJE-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 57392405) is 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is CC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is NEGKZCWPPUOWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2)7-4-8-19(10-16)9-13(21)18-15-17-11-5-3-6-12(20)14(11)22-15/h3-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 57392405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).