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165736-07-2 molecular structure
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(dimethyl-1,3-thiazol-5-yl)methanamine

ChemBase ID: 281114
Molecular Formular: C6H10N2S
Molecular Mass: 142.222
Monoisotopic Mass: 142.05646933
SMILES and InChIs

SMILES:
n1c(c(sc1C)CN)C
Canonical SMILES:
NCc1sc(nc1C)C
InChI:
InChI=1S/C6H10N2S/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3
InChIKey:
ODTDYSAMTDHVSL-UHFFFAOYSA-N

Cite this record

CBID:281114 http://www.chembase.cn/molecule-281114.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dimethyl-1,3-thiazol-5-yl)methanamine
IUPAC Traditional name
(dimethyl-1,3-thiazol-5-yl)methanamine
Synonyms
(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
1-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CAS Number
165736-07-2
MDL Number
MFCD09971260
PubChem SID
180666645
PubChem CID
25219195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25219195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6699831  LogD (pH = 7.4) -1.1840526 
Log P 0.14468135  Molar Refractivity 38.5561 cm3
Polarizability 14.990736 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.386 expand Show data source
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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