N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide

C18H25N3OS — CID 78815665

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C18H25N3OS/c1-2-14-7-5-6-12-21(14)13-17(22)19-11-10-18-20-15-8-3-4-9-16(15)23-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,22)
InChIKeyNJRXCWOALKYQKZ-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 78815665) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID78815665
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C18H25N3OS/c1-2-14-7-5-6-12-21(14)13-17(22)19-11-10-18-20-15-8-3-4-9-16(15)23-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,22)
InChIKeyNJRXCWOALKYQKZ-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetamide
CID 78817131
1-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 31314077
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18087174
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
2-[4-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 43037866
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684627
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 78836452
N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369168
N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369162
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide (CID 78815665) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is NJRXCWOALKYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-14-7-5-6-12-21(14)13-17(22)19-11-10-18-20-15-8-3-4-9-16(15)23-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 331.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 78815665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).