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695147-00-3 molecular structure
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2-(morpholin-4-yl)-1,3-thiazol-4-amine

ChemBase ID: 50935
Molecular Formular: C7H11N3OS
Molecular Mass: 185.24674
Monoisotopic Mass: 185.06228299
SMILES and InChIs

SMILES:
n1c(scc1N)N1CCOCC1
Canonical SMILES:
Nc1csc(n1)N1CCOCC1
InChI:
InChI=1S/C7H11N3OS/c8-6-5-12-7(9-6)10-1-3-11-4-2-10/h5H,1-4,8H2
InChIKey:
HGXLNZXTYOPVHM-UHFFFAOYSA-N

Cite this record

CBID:50935 http://www.chembase.cn/molecule-50935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)-1,3-thiazol-4-amine
IUPAC Traditional name
2-(morpholin-4-yl)-1,3-thiazol-4-amine
Synonyms
2-Morpholin-4-yl-thiazol-4-ylamine
CAS Number
695147-00-3
MDL Number
MFCD09880912
PubChem SID
162055698
PubChem CID
33702222

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
054464 external link Add to cart Please log in.
Data Source Data ID
PubChem 33702222 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.96923465  LogD (pH = 7.4) 0.9713367 
Log P 0.9713636  Molar Refractivity 49.2567 cm3
Polarizability 17.761175 Å3 Polar Surface Area 51.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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