N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide

C16H23N3O2S — CID 741972

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)CN3CCCCC3)nc2C1
InChIInChI=1S/C16H23N3O2S/c1-16(2)8-11-14(12(20)9-16)22-15(17-11)18-13(21)10-19-6-4-3-5-7-19/h3-10H2,1-2H3,(H,17,18,21)
InChIKeyDNASLETXEFMKKW-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.72
Rot. Bonds3

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 741972) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
PubChem CID741972
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)CN3CCCCC3)nc2C1
InChIInChI=1S/C16H23N3O2S/c1-16(2)8-11-14(12(20)9-16)22-15(17-11)18-13(21)10-19-6-4-3-5-7-19/h3-10H2,1-2H3,(H,17,18,21)
InChIKeyDNASLETXEFMKKW-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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Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
CID 3155103
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 741973
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclohexane]-7-one
CID 11998445
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)cyclopropanecarboxamide
CID 3152380
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3152645
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 5169988
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
CID 5226251
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2829723
2-methylamino-5,5-dimethyl-7-oxo-4,5-dihydro-6H-benzthiazole
CID 3123575

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide (CID 741972) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide is CC1(C)CC(=O)c2sc(NC(=O)CN3CCCCC3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is DNASLETXEFMKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(2)8-11-14(12(20)9-16)22-15(17-11)18-13(21)10-19-6-4-3-5-7-19/h3-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide 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 N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).