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71125-44-5 molecular structure
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5-(morpholin-4-yl)-1,3,4-thiadiazol-2-amine

ChemBase ID: 101691
Molecular Formular: C6H10N4OS
Molecular Mass: 186.2348
Monoisotopic Mass: 186.05753196
SMILES and InChIs

SMILES:
c1(sc(nn1)N)N1CCOCC1
Canonical SMILES:
Nc1nnc(s1)N1CCOCC1
InChI:
InChI=1S/C6H10N4OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2,(H2,7,8)
InChIKey:
ZPVDYLQZHMWCDT-UHFFFAOYSA-N

Cite this record

CBID:101691 http://www.chembase.cn/molecule-101691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(morpholin-4-yl)-1,3,4-thiadiazol-2-amine
IUPAC Traditional name
5-(morpholin-4-yl)-1,3,4-thiadiazol-2-amine
Synonyms
5-morpholin-4-yl-1,3,4-thiadiazol-2-amine
CAS Number
71125-44-5
MDL Number
MFCD06243029
PubChem SID
162088893
PubChem CID
1500011

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 1500011 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.225958  H Acceptors
H Donor LogD (pH = 5.5) 0.1773897 
LogD (pH = 7.4) 0.17740911  Log P 0.17740937 
Molar Refractivity 48.5393 cm3 Polarizability 16.975586 Å3
Polar Surface Area 64.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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