3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C15H19N3OS — CID 115581786

IUPAC3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCCC(C)C3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-12-13(8-10)20-14(16-12)17-15(19)18-7-3-4-11(2)9-18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyDXAGWBZDHKHYPD-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds1

About 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 115581786) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID115581786
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCCC(C)C3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-10-5-6-12-13(8-10)20-14(16-12)17-15(19)18-7-3-4-11(2)9-18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyDXAGWBZDHKHYPD-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
cis-(1S,2R)-2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6949082
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 115581786) is 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is Cc1ccc2nc(NC(=O)N3CCCC(C)C3)sc2c1.
What is the InChIKey of 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DXAGWBZDHKHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-5-6-12-13(8-10)20-14(16-12)17-15(19)18-7-3-4-11(2)9-18/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17,19).
What are the key properties of 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115581786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).