N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide

C15H19N3OS — CID 46699373

IUPACN-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-10-7-11(2)9-18(8-10)15(19)17-14-16-12-5-3-4-6-13(12)20-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyPJJFWVCPISOFHD-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.81
Rot. Bonds1

About N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 46699373) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID46699373
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-10-7-11(2)9-18(8-10)15(19)17-14-16-12-5-3-4-6-13(12)20-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyPJJFWVCPISOFHD-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide
CID 146144622
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 3420218
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide (CID 46699373) is N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is PJJFWVCPISOFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-7-11(2)9-18(8-10)15(19)17-14-16-12-5-3-4-6-13(12)20-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 46699373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).