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

3-(2-amino-1,3-thiazol-4-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

ChemBase ID: 420112
Molecular Formular: C13H13N5O2S2
Molecular Mass: 335.40462
Monoisotopic Mass: 335.05106668
SMILES and InChIs

SMILES:
n1c(onc1CNC(=O)CCc1nc(sc1)N)c1sccc1
Canonical SMILES:
O=C(CCc1csc(n1)N)NCc1noc(n1)c1cccs1
InChI:
InChI=1S/C13H13N5O2S2/c14-13-16-8(7-22-13)3-4-11(19)15-6-10-17-12(20-18-10)9-2-1-5-21-9/h1-2,5,7H,3-4,6H2,(H2,14,16)(H,15,19)
InChIKey:
SHPRHLFRXSEDCA-UHFFFAOYSA-N

Cite this record

CBID:420112 http://www.chembase.cn/molecule-420112.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-amino-1,3-thiazol-4-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
IUPAC Traditional name
3-(2-amino-1,3-thiazol-4-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
Synonyms
3-(2-amino-1,3-thiazol-4-yl)-N-{[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25926549 external link Add to cart
Data Source Data ID Price
ChemBridge
25926549 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 12.516337  H Acceptors
H Donor LogD (pH = 5.5) 1.5500581 
LogD (pH = 7.4) 1.6109132  Log P 1.6117525 
Molar Refractivity 94.3747 cm3 Polarizability 31.604692 Å3
Polar Surface Area 106.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.72  LOG S -2.26 
Polar Surface Area 106.93 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