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107401-74-1 molecular structure
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5-benzoyl-2-N-methyl-1,3-thiazole-2,4-diamine

ChemBase ID: 312068
Molecular Formular: C11H11N3OS
Molecular Mass: 233.28954
Monoisotopic Mass: 233.06228299
SMILES and InChIs

SMILES:
c1(c(nc(s1)NC)N)C(=O)c1ccccc1
Canonical SMILES:
CNc1nc(c(s1)C(=O)c1ccccc1)N
InChI:
InChI=1S/C11H11N3OS/c1-13-11-14-10(12)9(16-11)8(15)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H,13,14)
InChIKey:
SQWPGESDJHLLBD-UHFFFAOYSA-N

Cite this record

CBID:312068 http://www.chembase.cn/molecule-312068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-benzoyl-2-N-methyl-1,3-thiazole-2,4-diamine
IUPAC Traditional name
5-benzoyl-2-N-methyl-1,3-thiazole-2,4-diamine
Synonyms
[4-amino-2-(methylamino)-1,3-thiazol-5-yl](phenyl)methanone
CAS Number
107401-74-1
MDL Number
MFCD04060946

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7960181  LogD (pH = 7.4) 2.796386 
Log P 2.7963908  Molar Refractivity 66.307 cm3
Polarizability 23.87693 Å3 Polar Surface Area 68.01 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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