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MFCD11109093 molecular structure
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N-methyl-4,5-dihydro-1,3-thiazol-2-amine

ChemBase ID: 252494
Molecular Formular: C4H8N2S
Molecular Mass: 116.18472
Monoisotopic Mass: 116.04081927
SMILES and InChIs

SMILES:
C1(=NCCS1)NC
Canonical SMILES:
CNC1=NCCS1
InChI:
InChI=1S/C4H8N2S/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H,5,6)
InChIKey:
KOFXNMVSVWDBKN-UHFFFAOYSA-N

Cite this record

CBID:252494 http://www.chembase.cn/molecule-252494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-4,5-dihydro-1,3-thiazol-2-amine
IUPAC Traditional name
N-methyl-4,5-dihydro-1,3-thiazol-2-amine
Synonyms
N-methyl-4,5-dihydro-1,3-thiazol-2-amine
MDL Number
MFCD11109093
PubChem SID
164308404
PubChem CID
203752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-25394 external link Add to cart Please log in.
Data Source Data ID
PubChem 203752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9207186  LogD (pH = 7.4) -1.446242 
Log P 0.4835356  Molar Refractivity 32.4699 cm3
Polarizability 12.3222 Å3 Polar Surface Area 24.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.947 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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