Home > Compound List > Compound details
85112-35-2 molecular structure
click picture or here to close

4-(4-ethylphenyl)-1,3-thiazol-2-amine

ChemBase ID: 26259
Molecular Formular: C11H12N2S
Molecular Mass: 204.29138
Monoisotopic Mass: 204.07211939
SMILES and InChIs

SMILES:
n1c(scc1c1ccc(cc1)CC)N
Canonical SMILES:
CCc1ccc(cc1)c1csc(n1)N
InChI:
InChI=1S/C11H12N2S/c1-2-8-3-5-9(6-4-8)10-7-14-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKey:
YDFOGNLELPWXHU-UHFFFAOYSA-N

Cite this record

CBID:26259 http://www.chembase.cn/molecule-26259.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-ethylphenyl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(4-ethylphenyl)-1,3-thiazol-2-amine
Synonyms
4-(4-Ethylphenyl)-1,3-thiazol-2-amine
4-(4-Ethyl-phenyl)-thiazol-2-ylamine
CAS Number
85112-35-2
MDL Number
MFCD01471496
PubChem SID
160989566
PubChem CID
733908

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.706797  H Acceptors
H Donor LogD (pH = 5.5) 3.462844 
LogD (pH = 7.4) 3.4782286  Log P 3.4784284 
Molar Refractivity 59.8465 cm3 Polarizability 23.80242 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
120 - 122°C expand Show data source
Partition Coefficient
2.861 expand Show data source
Hydrophobicity(logP)
3.355 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
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