N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide

C21H21N3O2S — CID 78868570

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C21H21N3O2S/c25-19(14-24-12-4-3-7-21(24)26)22-16-10-8-15(9-11-16)13-20-23-17-5-1-2-6-18(17)27-20/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25)
InChIKeyZWUDSGLYXHMFKD-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78868570) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78868570
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C21H21N3O2S/c25-19(14-24-12-4-3-7-21(24)26)22-16-10-8-15(9-11-16)13-20-23-17-5-1-2-6-18(17)27-20/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25)
InChIKeyZWUDSGLYXHMFKD-UHFFFAOYSA-N
XLogP3.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 171835845
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203365
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203363
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide;hydrochloride
CID 119684950
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527045
(3R)-3-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-1,3-dicarboxamide
CID 34548047
(3S)-3-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-1,3-dicarboxamide
CID 34548052
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27701453
4-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methoxybutanamide
CID 120587004
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 86577333
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
CID 119268823

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78868570) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is ZWUDSGLYXHMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-19(14-24-12-4-3-7-21(24)26)22-16-10-8-15(9-11-16)13-20-23-17-5-1-2-6-18(17)27-20/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78868570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).