2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide

C21H23N3OS — CID 1453050

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1
InChIInChI=1S/C21H23N3OS/c25-20(22-14-16-6-2-1-3-7-16)15-24-12-10-17(11-13-24)21-23-18-8-4-5-9-19(18)26-21/h1-9,17H,10-15H2,(H,22,25)
InChIKeyFSWCAKFDIOFUES-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide (PubChem CID 1453050) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
PubChem CID1453050
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1
InChIInChI=1S/C21H23N3OS/c25-20(22-14-16-6-2-1-3-7-16)15-24-12-10-17(11-13-24)21-23-18-8-4-5-9-19(18)26-21/h1-9,17H,10-15H2,(H,22,25)
InChIKeyFSWCAKFDIOFUES-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benthiavalicarb
CID 20593234
2-(Piperidin-3-yl)-1,3-benzothiazole
CID 2998624
Ruski-201
CID 71726792
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 9850077
Rwj-50353
CID 9872263
2-(4'-Methylaminophenyl)benzothiazole
CID 9837643
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
(2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 11365611
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 23646588
(2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]piperidine-2-carboxamide
CID 23646594
(3S,6S,8aR)-6-amino-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-6-benzyl-5-oxo-octahydroindolizine-3-carboxamide
CID 444469
3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide (CID 1453050) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide is O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide?
The InChIKey is FSWCAKFDIOFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-20(22-14-16-6-2-1-3-7-16)15-24-12-10-17(11-13-24)21-23-18-8-4-5-9-19(18)26-21/h1-9,17H,10-15H2,(H,22,25).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide has a molecular weight of 365.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 1453050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).