Home > Compound List > Compound details
162104296 molecular structure
click picture or here to close

2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

ChemBase ID: 72446
Molecular Formular: C11H10ClN3OS
Molecular Mass: 267.7346
Monoisotopic Mass: 267.02331064
SMILES and InChIs

SMILES:
c1(sc(nn1)C)NC(=O)C(c1ccccc1)Cl
Canonical SMILES:
O=C(C(c1ccccc1)Cl)Nc1nnc(s1)C
InChI:
InChI=1S/C11H10ClN3OS/c1-7-14-15-11(17-7)13-10(16)9(12)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,13,15,16)
InChIKey:
NWIBPGZYMQCXSI-UHFFFAOYSA-N

Cite this record

CBID:72446 http://www.chembase.cn/molecule-72446.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
IUPAC Traditional name
2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
Synonyms
2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
PubChem SID
162104296
PubChem CID
71300032

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
078070 external link Add to cart Please log in.
Data Source Data ID
PubChem 71300032 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.2302685  H Acceptors
H Donor LogD (pH = 5.5) 2.267081 
LogD (pH = 7.4) 2.2664807  Log P 2.2670903 
Molar Refractivity 69.2773 cm3 Polarizability 25.390692 Å3
Polar Surface Area 54.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source

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