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N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide

ChemBase ID: 130181
Molecular Formular: C19H19Cl2N5O2S
Molecular Mass: 452.35746
Monoisotopic Mass: 451.06365123
SMILES and InChIs

SMILES:
O=C(N/N=c/1\scc(n1CC(C)C)c1ccc(Cl)cc1Cl)COc1nccnc1
Canonical SMILES:
CC(Cn1/c(=N/NC(=O)COc2cnccn2)/scc1c1ccc(cc1Cl)Cl)C
InChI:
InChI=1S/C19H19Cl2N5O2S/c1-12(2)9-26-16(14-4-3-13(20)7-15(14)21)11-29-19(26)25-24-17(27)10-28-18-8-22-5-6-23-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)
InChIKey:
SQHAOMTXRPESIP-UHFFFAOYSA-N

Cite this record

CBID:130181 http://www.chembase.cn/molecule-130181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide
IUPAC Traditional name
N'-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-ylidene]-2-(pyrazin-2-yloxy)acetohydrazide
Synonyms
WAY-208,466
CAS Number
?
PubChem SID
162224465
PubChem CID
11820788
CHEMBL
571858
Chemspider ID
9995440
Wikipedia Title
WAY-208,466

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.667782  H Acceptors
H Donor LogD (pH = 5.5) 3.5885818 
LogD (pH = 7.4) 3.5865402  Log P 3.588611 
Molar Refractivity 116.1479 cm3 Polarizability 44.4669 Å3
Polar Surface Area 79.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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