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34467-12-4 molecular structure
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ethyl 3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylate hydrochloride

ChemBase ID: 81809
Molecular Formular: C9H13ClN2O2S
Molecular Mass: 248.72972
Monoisotopic Mass: 248.03862635
SMILES and InChIs

SMILES:
s1c2=NCCn2c(c1C(=O)OCC)C.Cl
Canonical SMILES:
Cc1c(sc2=NCCn12)C(=O)OCC.Cl
InChI:
InChI=1S/C9H12N2O2S.ClH/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7;/h3-5H2,1-2H3;1H
InChIKey:
SMNIBALWWVPOJC-UHFFFAOYSA-N

Cite this record

CBID:81809 http://www.chembase.cn/molecule-81809.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylate hydrochloride
IUPAC Traditional name
ethyl 3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylate hydrochloride
Synonyms
ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate hydrochloride
CAS Number
34467-12-4
MDL Number
MFCD01720210
PubChem SID
162068928
PubChem CID
214852

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 214852 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.85330427  LogD (pH = 7.4) 0.90201294 
Log P 0.902671  Molar Refractivity 57.7597 cm3
Polarizability 21.371574 Å3 Polar Surface Area 41.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
194-195°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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