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117844-98-1 molecular structure
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4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

ChemBase ID: 311794
Molecular Formular: C12H14N2O2S
Molecular Mass: 250.31676
Monoisotopic Mass: 250.0775987
SMILES and InChIs

SMILES:
c1(nc(sc1C)N)c1c(cc(cc1)OC)OC
Canonical SMILES:
COc1cc(OC)ccc1c1nc(sc1C)N
InChI:
InChI=1S/C12H14N2O2S/c1-7-11(14-12(13)17-7)9-5-4-8(15-2)6-10(9)16-3/h4-6H,1-3H3,(H2,13,14)
InChIKey:
DBRUGROLIZNWFM-UHFFFAOYSA-N

Cite this record

CBID:311794 http://www.chembase.cn/molecule-311794.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
IUPAC Traditional name
4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
Synonyms
4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CAS Number
117844-98-1
MDL Number
MFCD03145141

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8073285  LogD (pH = 7.4) 2.8503773 
Log P 2.8509567  Molar Refractivity 68.187 cm3
Polarizability 26.975563 Å3 Polar Surface Area 57.37 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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