Home > Compound List > Compound details
915923-78-3 molecular structure
click picture or here to close

4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine

ChemBase ID: 311524
Molecular Formular: C12H13FN2S
Molecular Mass: 236.3084232
Monoisotopic Mass: 236.07834765
SMILES and InChIs

SMILES:
n1c(c(sc1N)CCC)c1ccc(cc1)F
Canonical SMILES:
CCCc1sc(nc1c1ccc(cc1)F)N
InChI:
InChI=1S/C12H13FN2S/c1-2-3-10-11(15-12(14)16-10)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKey:
ZNCDVAKZGHTBJN-UHFFFAOYSA-N

Cite this record

CBID:311524 http://www.chembase.cn/molecule-311524.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine
Synonyms
4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine
CAS Number
915923-78-3
MDL Number
MFCD08753003

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6431585 external link Add to cart
Data Source Data ID Price
ChemBridge
6431585 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.15492  LogD (pH = 7.4) 4.197565 
Log P 4.198138  Molar Refractivity 64.602 cm3
Polarizability 25.268303 Å3 Polar Surface Area 38.91 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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