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

C16H21N3OS — CID 114427841

IUPAC4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-3-11-6-7-17-13(9-11)15(20)19-16-18-12-5-4-10(2)8-14(12)21-16/h4-5,8,11,13,17H,3,6-7,9H2,1-2H3,(H,18,19,20)
InChIKeyBMETYGWYTKNYEM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.32
Rot. Bonds3

About 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide

4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (PubChem CID 114427841) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
PubChem CID114427841
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-3-11-6-7-17-13(9-11)15(20)19-16-18-12-5-4-10(2)8-14(12)21-16/h4-5,8,11,13,17H,3,6-7,9H2,1-2H3,(H,18,19,20)
InChIKeyBMETYGWYTKNYEM-UHFFFAOYSA-N
XLogP3.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114427950
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695610
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
4-ethyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114428961
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 11918855
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18556908
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide (CID 114427841) is 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2nc3ccc(C)cc3s2)C1.
What is the InChIKey of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is BMETYGWYTKNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-11-6-7-17-13(9-11)15(20)19-16-18-12-5-4-10(2)8-14(12)21-16/h4-5,8,11,13,17H,3,6-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide?
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 114427841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).