Home > Compound List > Compound details
MFCD11108816 molecular structure
click picture or here to close

ethyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate

ChemBase ID: 35476
Molecular Formular: C8H9N3O2S
Molecular Mass: 211.24096
Monoisotopic Mass: 211.04154754
SMILES and InChIs

SMILES:
c1(c(c(ns1)C)C#N)NC(=O)OCC
Canonical SMILES:
CCOC(=O)Nc1snc(c1C#N)C
InChI:
InChI=1S/C8H9N3O2S/c1-3-13-8(12)10-7-6(4-9)5(2)11-14-7/h3H2,1-2H3,(H,10,12)
InChIKey:
LAUBIZYDCJAKOB-UHFFFAOYSA-N

Cite this record

CBID:35476 http://www.chembase.cn/molecule-35476.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
IUPAC Traditional name
ethyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate
Synonyms
Ethyl 4-cyano-3-methylisothiazol-5-ylcarbamate
MDL Number
MFCD11108816
PubChem SID
160998783
PubChem CID
25219691

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
038249 external link Add to cart Please log in.
Data Source Data ID
PubChem 25219691 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.881551  H Acceptors
H Donor LogD (pH = 5.5) 1.3100725 
LogD (pH = 7.4) 1.3099942  Log P 1.3101311 
Molar Refractivity 52.7072 cm3 Polarizability 19.272593 Å3
Polar Surface Area 75.01 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
TSCA Listed
false 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