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1023818-77-0 molecular structure
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4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine

ChemBase ID: 281894
Molecular Formular: C6H11N3S
Molecular Mass: 157.23664
Monoisotopic Mass: 157.06736837
SMILES and InChIs

SMILES:
c1(nc(cs1)CN)N(C)C
Canonical SMILES:
NCc1csc(n1)N(C)C
InChI:
InChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3
InChIKey:
IOXPXNBQZCSGME-UHFFFAOYSA-N

Cite this record

CBID:281894 http://www.chembase.cn/molecule-281894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
Synonyms
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CAS Number
1023818-77-0
MDL Number
MFCD09880808
PubChem SID
180667425
PubChem CID
28948815

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28948815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9846057  LogD (pH = 7.4) -0.33860293 
Log P 0.6315728  Molar Refractivity 43.1195 cm3
Polarizability 16.295582 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.195 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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