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

C16H24ClN3O2S — CID 57392404

IUPAC2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride
SMILESCC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/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);1H
InChIKeyCXLKBYVXESTINI-UHFFFAOYSA-N
MW357.91 g/mol
LogP3.14
Rot. Bonds3

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

2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 57392404) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 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;hydrochloride.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride
PubChem CID57392404
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride
SMILESCC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/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);1H
InChIKeyCXLKBYVXESTINI-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 53.14
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;hydrochloride?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 57392404) is 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CC1(C)CCCN(CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1.Cl.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride?
The InChIKey is CXLKBYVXESTINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/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);1H.
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;hydrochloride?
2-(3,3-dimethylpiperidin-1-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 3.14, 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;hydrochloride is sourced from PubChem (CID 57392404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).