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915707-64-1 molecular structure
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methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine

ChemBase ID: 75998
Molecular Formular: C9H15N3OS
Molecular Mass: 213.2999
Monoisotopic Mass: 213.09358312
SMILES and InChIs

SMILES:
n1c(N2CCOCC2)scc1CNC
Canonical SMILES:
CNCc1csc(n1)N1CCOCC1
InChI:
InChI=1S/C9H15N3OS/c1-10-6-8-7-14-9(11-8)12-2-4-13-5-3-12/h7,10H,2-6H2,1H3
InChIKey:
QOWGXNCFGPNQIL-UHFFFAOYSA-N

Cite this record

CBID:75998 http://www.chembase.cn/molecule-75998.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine
IUPAC Traditional name
methyl({[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl})amine
Synonyms
N-methyl-(2-morpholino-1,3-thiazol-4-yl)methylamine
N-Methyl-1-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methylamine
4-[(Methylamino)methyl]-2-(morpholin-4-yl)-1,3-thiazole
CAS Number
915707-64-1
MDL Number
MFCD09817539
PubChem SID
162040916
PubChem CID
24229700

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229700 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.680695  LogD (pH = 7.4) 0.052972984 
Log P 0.8456527  Molar Refractivity 56.9686 cm3
Polarizability 21.801765 Å3 Polar Surface Area 37.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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