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methyl({[5-(oxolan-2-yl)thiophen-2-yl]methyl}){[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}amine

ChemBase ID: 322600
Molecular Formular: C17H24N2OS2
Molecular Mass: 336.51526
Monoisotopic Mass: 336.1330054
SMILES and InChIs

SMILES:
n1c(scc1CN(Cc1sc(cc1)C1OCCC1)C)C(C)C
Canonical SMILES:
CN(Cc1ccc(s1)C1CCCO1)Cc1csc(n1)C(C)C
InChI:
InChI=1S/C17H24N2OS2/c1-12(2)17-18-13(11-21-17)9-19(3)10-14-6-7-16(22-14)15-5-4-8-20-15/h6-7,11-12,15H,4-5,8-10H2,1-3H3
InChIKey:
FTQSHAJBOZURNI-UHFFFAOYSA-N

Cite this record

CBID:322600 http://www.chembase.cn/molecule-322600.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[5-(oxolan-2-yl)thiophen-2-yl]methyl}){[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}amine
IUPAC Traditional name
[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl){[5-(oxolan-2-yl)thiophen-2-yl]methyl}amine
Synonyms
1-(2-isopropyl-1,3-thiazol-4-yl)-N-methyl-N-{[5-(tetrahydrofuran-2-yl)-2-thienyl]methyl}methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11313531 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) 2.9892838  LogD (pH = 7.4) 4.066976 
Log P 4.1326294  Molar Refractivity 92.9939 cm3
Polarizability 36.170216 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.25  LOG S -3.42 
Polar Surface Area 25.36 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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