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1025700-49-5 molecular structure
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5-bromo-4-(propan-2-yl)-1,3-thiazol-2-amine

ChemBase ID: 288730
Molecular Formular: C6H9BrN2S
Molecular Mass: 221.11806
Monoisotopic Mass: 219.9669813
SMILES and InChIs

SMILES:
Nc1nc(C(C)C)c(Br)s1
Canonical SMILES:
Nc1nc(c(s1)Br)C(C)C
InChI:
InChI=1S/C6H9BrN2S/c1-3(2)4-5(7)10-6(8)9-4/h3H,1-2H3,(H2,8,9)
InChIKey:
PLPKYAYJIVQOEL-UHFFFAOYSA-N

Cite this record

CBID:288730 http://www.chembase.cn/molecule-288730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-4-(propan-2-yl)-1,3-thiazol-2-amine
IUPAC Traditional name
5-bromo-4-isopropyl-1,3-thiazol-2-amine
Synonyms
5-Bromo-4-isopropylthiazol-2-amine
CAS Number
1025700-49-5
PubChem SID
180674261
PubChem CID
53488139

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211902 Please log in.
Data Source Data ID
PubChem 53488139 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.39184  H Acceptors
H Donor LogD (pH = 5.5) 2.7901168 
LogD (pH = 7.4) 2.796916  Log P 2.7970035 
Molar Refractivity 46.0157 cm3 Polarizability 17.680058 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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