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benzyl(1H-imidazol-2-ylmethyl)(1,3-thiazol-2-ylmethyl)amine

ChemBase ID: 410023
Molecular Formular: C15H16N4S
Molecular Mass: 284.37934
Monoisotopic Mass: 284.10956753
SMILES and InChIs

SMILES:
n1c([nH]cc1)CN(Cc1nccs1)Cc1ccccc1
Canonical SMILES:
c1ccc(cc1)CN(Cc1[nH]ccn1)Cc1nccs1
InChI:
InChI=1S/C15H16N4S/c1-2-4-13(5-3-1)10-19(11-14-16-6-7-17-14)12-15-18-8-9-20-15/h1-9H,10-12H2,(H,16,17)
InChIKey:
KFDPKIDZNIJAEJ-UHFFFAOYSA-N

Cite this record

CBID:410023 http://www.chembase.cn/molecule-410023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(1H-imidazol-2-ylmethyl)(1,3-thiazol-2-ylmethyl)amine
IUPAC Traditional name
benzyl(1H-imidazol-2-ylmethyl)(1,3-thiazol-2-ylmethyl)amine
Synonyms
N-benzyl-1-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 24340911 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.617872  H Acceptors
H Donor LogD (pH = 5.5) 1.3873969 
LogD (pH = 7.4) 2.02359  Log P 2.0502446 
Molar Refractivity 80.6431 cm3 Polarizability 31.150019 Å3
Polar Surface Area 44.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.58  LOG S -1.62 
Polar Surface Area 44.81 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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