N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide

C15H20N4OS — CID 51078799

IUPACN-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H20N4OS/c1-18(2)11-7-9-19(10-8-11)15(20)17-14-16-12-5-3-4-6-13(12)21-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,20)
InChIKeyXLYLRHSUXWSVDD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.85
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide (PubChem CID 51078799) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
PubChem CID51078799
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H20N4OS/c1-18(2)11-7-9-19(10-8-11)15(20)17-14-16-12-5-3-4-6-13(12)21-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,20)
InChIKeyXLYLRHSUXWSVDD-UHFFFAOYSA-N
XLogP2.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
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-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 167855696
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboxamide
CID 171422794
N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
CID 143125786
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 8882216

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide (CID 51078799) is N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide is CN(C)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide?
The InChIKey is XLYLRHSUXWSVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18(2)11-7-9-19(10-8-11)15(20)17-14-16-12-5-3-4-6-13(12)21-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 51078799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).