2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

C21H21N3O3S — CID 134048765

IUPAC2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCCCC2c2nc3ccccc3s2)c1
InChIInChI=1S/C21H21N3O3S/c22-19(25)13-27-15-7-5-6-14(12-15)21(26)24-11-4-3-9-17(24)20-23-16-8-1-2-10-18(16)28-20/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,25)
InChIKeyVZLJYLRBHMVZLK-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.53
Rot. Bonds5

About 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 134048765) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID134048765
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCCCC2c2nc3ccccc3s2)c1
InChIInChI=1S/C21H21N3O3S/c22-19(25)13-27-15-7-5-6-14(12-15)21(26)24-11-4-3-9-17(24)20-23-16-8-1-2-10-18(16)28-20/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,25)
InChIKeyVZLJYLRBHMVZLK-UHFFFAOYSA-N
XLogP3.53
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 41183194
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 9461544
2-[4-[(E)-3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetamide
CID 17466460
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 18090664
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 51143361
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 41133959
[3-(azepan-1-ylsulfonyl)phenyl]-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 55329362
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 38610096
2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 112789782
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51143363
7-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55415896

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (CID 134048765) is 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1cccc(C(=O)N2CCCCC2c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is VZLJYLRBHMVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c22-19(25)13-27-15-7-5-6-14(12-15)21(26)24-11-4-3-9-17(24)20-23-16-8-1-2-10-18(16)28-20/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H2,22,25).
What are the key properties of 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 134048765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).