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

C15H19N3OS2 — CID 63130297

IUPAC3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3(C)CCCNC3)cc2s1
InChIInChI=1S/C15H19N3OS2/c1-15(6-3-7-16-9-15)13(19)17-10-4-5-11-12(8-10)21-14(18-11)20-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyRYQGGQZPZROKDB-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.35
Rot. Bonds3

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

3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (PubChem CID 63130297) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
PubChem CID63130297
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3(C)CCCNC3)cc2s1
InChIInChI=1S/C15H19N3OS2/c1-15(6-3-7-16-9-15)13(19)17-10-4-5-11-12(8-10)21-14(18-11)20-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyRYQGGQZPZROKDB-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 60866672
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 43702585
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
3-methyl-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 63133042
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (CID 63130297) is 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is CSc1nc2ccc(NC(=O)C3(C)CCCNC3)cc2s1.
What is the InChIKey of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The InChIKey is RYQGGQZPZROKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-15(6-3-7-16-9-15)13(19)17-10-4-5-11-12(8-10)21-14(18-11)20-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63130297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).