Home > Compound List > Compound details
 molecular structure
click picture or here to close

2-(5-acetylthiophen-3-yl)-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide

ChemBase ID: 470816
Molecular Formular: C20H21N3O2S2
Molecular Mass: 399.52964
Monoisotopic Mass: 399.10751893
SMILES and InChIs

SMILES:
c1(nc2c(s1)cccc2)N1CC(NC(=O)Cc2cc(sc2)C(=O)C)CCC1
Canonical SMILES:
O=C(NC1CCCN(C1)c1nc2c(s1)cccc2)Cc1csc(c1)C(=O)C
InChI:
InChI=1S/C20H21N3O2S2/c1-13(24)18-9-14(12-26-18)10-19(25)21-15-5-4-8-23(11-15)20-22-16-6-2-3-7-17(16)27-20/h2-3,6-7,9,12,15H,4-5,8,10-11H2,1H3,(H,21,25)
InChIKey:
JJRIIHKCGVFCGP-UHFFFAOYSA-N

Cite this record

CBID:470816 http://www.chembase.cn/molecule-470816.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-acetylthiophen-3-yl)-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
IUPAC Traditional name
2-(5-acetylthiophen-3-yl)-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
Synonyms
2-(5-acetyl-3-thienyl)-N-[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 34021402 external link Add to cart
Data Source Data ID Price
ChemBridge
34021402 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.672901  H Acceptors
H Donor LogD (pH = 5.5) 3.6976032 
LogD (pH = 7.4) 3.698056  Log P 3.6980617 
Molar Refractivity 107.65 cm3 Polarizability 42.12084 Å3
Polar Surface Area 62.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.45  LOG S -5.78 
Polar Surface Area 62.3 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle