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933751-05-4 molecular structure
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methyl[(1,3-thiazol-5-yl)methyl]amine

ChemBase ID: 795887
Molecular Formular: C5H8N2S
Molecular Mass: 128.19542
Monoisotopic Mass: 128.04081927
SMILES and InChIs

SMILES:
C(NC)c1scnc1
Canonical SMILES:
CNCc1cncs1
InChI:
InChI=1S/C5H8N2S/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKey:
BVDWIWZWZZLCGR-UHFFFAOYSA-N

Cite this record

CBID:795887 http://www.chembase.cn/molecule-795887.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(1,3-thiazol-5-yl)methyl]amine
IUPAC Traditional name
methyl(1,3-thiazol-5-ylmethyl)amine
Synonyms
N-Methyl-1-(thiazol-5-yl)MethanaMine
CAS Number
933751-05-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O994 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O994 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) -2.5119503  LogD (pH = 7.4) -0.8535965 
Log P 0.32282683  Molar Refractivity 34.2985 cm3
Polarizability 13.316711 Å3 Polar Surface Area 24.92 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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