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126533-96-8 molecular structure
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[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanol

ChemBase ID: 75983
Molecular Formular: C8H12N2O2S
Molecular Mass: 200.25808
Monoisotopic Mass: 200.06194863
SMILES and InChIs

SMILES:
n1c(N2CCOCC2)scc1CO
Canonical SMILES:
OCc1csc(n1)N1CCOCC1
InChI:
InChI=1S/C8H12N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h6,11H,1-5H2
InChIKey:
QJKKFCRFBAXDQE-UHFFFAOYSA-N

Cite this record

CBID:75983 http://www.chembase.cn/molecule-75983.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-yl]methanol
IUPAC Traditional name
[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanol
Synonyms
(2-morpholino-1,3-thiazol-4-yl)methanol
4-(Hydroxymethyl)-2-(morpholin-4-yl)-1,3-thiazole
(2-Morpholin-4-yl-1,3-thiazol-4-yl)methanol
CAS Number
126533-96-8
MDL Number
MFCD09702411
PubChem SID
162040901
PubChem CID
10608093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10608093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.988886  H Acceptors
H Donor LogD (pH = 5.5) 0.51975334 
LogD (pH = 7.4) 0.51995146  Log P 0.51995414 
Molar Refractivity 50.5365 cm3 Polarizability 19.112955 Å3
Polar Surface Area 45.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
118.5-120.5°C expand Show data source
Storage Warning
Harmful expand Show data source
Purity
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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