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885279-46-9 molecular structure
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2-[(3-bromophenyl)methyl]-1,3-thiazol-4-amine

ChemBase ID: 810887
Molecular Formular: C10H9BrN2S
Molecular Mass: 269.16086
Monoisotopic Mass: 267.9669813
SMILES and InChIs

SMILES:
Nc1nc(sc1)Cc1cc(ccc1)Br
Canonical SMILES:
Brc1cccc(c1)Cc1scc(n1)N
InChI:
InChI=1S/C10H9BrN2S/c11-8-3-1-2-7(4-8)5-10-13-9(12)6-14-10/h1-4,6H,5,12H2
InChIKey:
HOLWJJDTGIPINA-UHFFFAOYSA-N

Cite this record

CBID:810887 http://www.chembase.cn/molecule-810887.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-bromophenyl)methyl]-1,3-thiazol-4-amine
IUPAC Traditional name
2-[(3-bromophenyl)methyl]-1,3-thiazol-4-amine
Synonyms
2-(3-BROMO-BENZYL)-THIAZOL-4-YLAMINE
CAS Number
885279-46-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29863 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29863 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) 3.1215959  LogD (pH = 7.4) 3.1237004 
Log P 3.1237273  Molar Refractivity 63.0657 cm3
Polarizability 23.397167 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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