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313553-47-8 molecular structure
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N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

ChemBase ID: 313240
Molecular Formular: C18H16N2OS
Molecular Mass: 308.39744
Monoisotopic Mass: 308.09833414
SMILES and InChIs

SMILES:
C(=O)(Nc1scc(n1)c1c(cc(cc1)C)C)c1ccccc1
Canonical SMILES:
Cc1ccc(c(c1)C)c1csc(n1)NC(=O)c1ccccc1
InChI:
InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKey:
JPMOKRWIYQGMJL-UHFFFAOYSA-N

Cite this record

CBID:313240 http://www.chembase.cn/molecule-313240.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
IUPAC Traditional name
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
Synonyms
INH1
CAS Number
313553-47-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S7493 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.317553  H Acceptors
H Donor LogD (pH = 5.5) 5.4680915 
LogD (pH = 7.4) 5.4680867  Log P 5.468092 
Molar Refractivity 91.1198 cm3 Polarizability 35.214 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Microtubule Associated expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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