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

C15H19N3OS — CID 114427950

IUPACN-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-2-10-7-8-16-12(9-10)14(19)18-15-17-11-5-3-4-6-13(11)20-15/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyUETACOFELRFYND-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.01
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114427950) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
PubChem CID114427950
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C15H19N3OS/c1-2-10-7-8-16-12(9-10)14(19)18-15-17-11-5-3-4-6-13(11)20-15/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18,19)
InChIKeyUETACOFELRFYND-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 114427841
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
4-ethyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114428961
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 4815545
4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 114429180

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide (CID 114427950) is N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is UETACOFELRFYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-10-7-8-16-12(9-10)14(19)18-15-17-11-5-3-4-6-13(11)20-15/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114427950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).