Home > Compound List > Compound details
435341-84-7 molecular structure
click picture or here to close

4-(dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

ChemBase ID: 23963
Molecular Formular: C8H9N3S2
Molecular Mass: 211.30716
Monoisotopic Mass: 211.0237893
SMILES and InChIs

SMILES:
c1(c2nc(sc2)N)sc(nc1C)C
Canonical SMILES:
Cc1nc(c(s1)c1csc(n1)N)C
InChI:
InChI=1S/C8H9N3S2/c1-4-7(13-5(2)10-4)6-3-12-8(9)11-6/h3H,1-2H3,(H2,9,11)
InChIKey:
MQRVWXNHZWZVMR-UHFFFAOYSA-N

Cite this record

CBID:23963 http://www.chembase.cn/molecule-23963.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
Synonyms
4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamine
CAS Number
435341-84-7
MDL Number
MFCD00775052
PubChem SID
160987270
PubChem CID
3112394

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3112394 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.537436  H Acceptors
H Donor LogD (pH = 5.5) 1.422955 
LogD (pH = 7.4) 1.430278  Log P 1.4303721 
Molar Refractivity 54.229 cm3 Polarizability 21.505808 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216 - 218°C expand Show data source
Hydrophobicity(logP)
1.664 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% 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