Home > Compound List > Compound details
67355-26-4 molecular structure
click picture or here to close

1,3-thiazole-2,4-diamine

ChemBase ID: 288494
Molecular Formular: C3H5N3S
Molecular Mass: 115.1569
Monoisotopic Mass: 115.02041818
SMILES and InChIs

SMILES:
Nc1nc(N)cs1
Canonical SMILES:
Nc1scc(n1)N
InChI:
InChI=1S/C3H5N3S/c4-2-1-7-3(5)6-2/h1H,4H2,(H2,5,6)
InChIKey:
WKXCZMFWXZRMEZ-UHFFFAOYSA-N

Cite this record

CBID:288494 http://www.chembase.cn/molecule-288494.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-thiazole-2,4-diamine
IUPAC Traditional name
1,3-thiazole-2,4-diamine
Synonyms
Thiazole-2,4-diamine
CAS Number
67355-26-4
MDL Number
MFCD06738274
PubChem SID
180674025
PubChem CID
118995

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 118995 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.894064  H Acceptors
H Donor LogD (pH = 5.5) 0.09325 
LogD (pH = 7.4) 0.25044304  Log P 0.25289422 
Molar Refractivity 30.454 cm3 Polarizability 10.433385 Å3
Polar Surface Area 64.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95% expand Show data source
98% 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