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[(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine

ChemBase ID: 340599
Molecular Formular: C15H24N4S
Molecular Mass: 292.44286
Monoisotopic Mass: 292.17216779
SMILES and InChIs

SMILES:
c1(sc(nc1C)C)CN(Cc1cn(nc1)CC)C(C)C
Canonical SMILES:
CCn1ncc(c1)CN(C(C)C)Cc1sc(nc1C)C
InChI:
InChI=1S/C15H24N4S/c1-6-19-9-14(7-16-19)8-18(11(2)3)10-15-12(4)17-13(5)20-15/h7,9,11H,6,8,10H2,1-5H3
InChIKey:
OLWBITVIGYXKNL-UHFFFAOYSA-N

Cite this record

CBID:340599 http://www.chembase.cn/molecule-340599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
IUPAC Traditional name
[(dimethyl-1,3-thiazol-5-yl)methyl][(1-ethylpyrazol-4-yl)methyl]isopropylamine
Synonyms
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13900031 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.18725012  LogD (pH = 7.4) 1.5722338 
Log P 2.2428339  Molar Refractivity 96.0574 cm3
Polarizability 32.35222 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -2.5 
Polar Surface Area 33.95 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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