Home > Compound List > Compound details
31825-95-3 molecular structure
click picture or here to close

2-methyl-1,3-thiazole-4-carboxamide

ChemBase ID: 86534
Molecular Formular: C5H6N2OS
Molecular Mass: 142.17894
Monoisotopic Mass: 142.02008382
SMILES and InChIs

SMILES:
n1c(C)scc1C(=O)N
Canonical SMILES:
Cc1nc(cs1)C(=O)N
InChI:
InChI=1S/C5H6N2OS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
InChIKey:
JFBXSNFENTXBSX-UHFFFAOYSA-N

Cite this record

CBID:86534 http://www.chembase.cn/molecule-86534.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1,3-thiazole-4-carboxamide
IUPAC Traditional name
2-methyl-1,3-thiazole-4-carboxamide
Synonyms
2-Methyl-1,3-thiazole-4-carboxamide
CAS Number
31825-95-3
MDL Number
MFCD00221183
PubChem SID
162073650
PubChem CID
7019409

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR29665 external link Add to cart Please log in.
Data Source Data ID
PubChem 7019409 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.191055  H Acceptors
H Donor LogD (pH = 5.5) -0.008409144 
LogD (pH = 7.4) -0.008406029  Log P -0.008406053 
Molar Refractivity 34.4135 cm3 Polarizability 12.813813 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful 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