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6142/6/9 molecular structure
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N-methyl-1,3-thiazol-2-amine

ChemBase ID: 68498
Molecular Formular: C4H6N2S
Molecular Mass: 114.16884
Monoisotopic Mass: 114.0251692
SMILES and InChIs

SMILES:
s1c(ncc1)NC
Canonical SMILES:
CNc1nccs1
InChI:
InChI=1S/C4H6N2S/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H,5,6)
InChIKey:
DWVCPSQPTSNMRX-UHFFFAOYSA-N

Cite this record

CBID:68498 http://www.chembase.cn/molecule-68498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
N-methyl-1,3-thiazol-2-amine
Synonyms
N-Methyl-2-thiazolamine
N-methyl-1,3-thiazol-2-amine
N-Methylthiazol-2-aMine
CAS Number
6142/6/9
6142-06-9
MDL Number
MFCD09966061
PubChem SID
162034229
PubChem CID
11959081

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.856556  H Acceptors
H Donor LogD (pH = 5.5) 0.77693695 
LogD (pH = 7.4) 0.7889115  Log P 0.78906673 
Molar Refractivity 30.9335 cm3 Polarizability 11.106026 Å3
Polar Surface Area 24.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.033 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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