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300664-52-2 molecular structure
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2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetohydrazide

ChemBase ID: 101892
Molecular Formular: C12H13N3OS
Molecular Mass: 247.31612
Monoisotopic Mass: 247.07793305
SMILES and InChIs

SMILES:
n1c(sc(c1CC(=O)NN)C)c1ccccc1
Canonical SMILES:
NNC(=O)Cc1nc(sc1C)c1ccccc1
InChI:
InChI=1S/C12H13N3OS/c1-8-10(7-11(16)15-13)14-12(17-8)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,15,16)
InChIKey:
ZTRZCZGJROPELE-UHFFFAOYSA-N

Cite this record

CBID:101892 http://www.chembase.cn/molecule-101892.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetohydrazide
IUPAC Traditional name
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetohydrazide
Synonyms
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanohydrazide
CAS Number
300664-52-2
MDL Number
MFCD01312955
PubChem SID
162088729
PubChem CID
2727926

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2727926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.6072035  H Acceptors
H Donor LogD (pH = 5.5) 2.2205129 
LogD (pH = 7.4) 2.2228181  Log P 2.2228498 
Molar Refractivity 78.6662 cm3 Polarizability 26.452387 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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