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402585-79-9 molecular structure
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3-amino-2-methyl-N-(1,3-thiazol-2-yl)benzamide

ChemBase ID: 311428
Molecular Formular: C11H11N3OS
Molecular Mass: 233.28954
Monoisotopic Mass: 233.06228299
SMILES and InChIs

SMILES:
N(C(=O)c1c(c(N)ccc1)C)c1nccs1
Canonical SMILES:
O=C(c1cccc(c1C)N)Nc1nccs1
InChI:
InChI=1S/C11H11N3OS/c1-7-8(3-2-4-9(7)12)10(15)14-11-13-5-6-16-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKey:
BKVQFZRVHJIGLA-UHFFFAOYSA-N

Cite this record

CBID:311428 http://www.chembase.cn/molecule-311428.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-2-methyl-N-(1,3-thiazol-2-yl)benzamide
IUPAC Traditional name
3-amino-2-methyl-N-(1,3-thiazol-2-yl)benzamide
Synonyms
3-amino-2-methyl-N-1,3-thiazol-2-ylbenzamide
CAS Number
402585-79-9
MDL Number
MFCD02032189

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) 2.091685  LogD (pH = 7.4) 2.0926533 
Log P 2.0926688  Molar Refractivity 66.0148 cm3
Polarizability 23.64907 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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