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5-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4-methyl-2-(propan-2-yl)-1,3-thiazole

ChemBase ID: 340528
Molecular Formular: C20H26N2O3S
Molecular Mass: 374.49704
Monoisotopic Mass: 374.1664137
SMILES and InChIs

SMILES:
c1(sc(nc1C)C(C)C)C(=O)N1CC(c2c(ccc(c2)OC)OC)CC1
Canonical SMILES:
COc1ccc(cc1C1CCN(C1)C(=O)c1sc(nc1C)C(C)C)OC
InChI:
InChI=1S/C20H26N2O3S/c1-12(2)19-21-13(3)18(26-19)20(23)22-9-8-14(11-22)16-10-15(24-4)6-7-17(16)25-5/h6-7,10,12,14H,8-9,11H2,1-5H3
InChIKey:
HLCQRDGTBWHSNS-UHFFFAOYSA-N

Cite this record

CBID:340528 http://www.chembase.cn/molecule-340528.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4-methyl-2-(propan-2-yl)-1,3-thiazole
IUPAC Traditional name
5-[3-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-isopropyl-4-methyl-1,3-thiazole
Synonyms
5-{[3-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]carbonyl}-2-isopropyl-4-methyl-1,3-thiazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 3.149604  LogD (pH = 7.4) 3.1496584 
Log P 3.1496592  Molar Refractivity 103.1899 cm3
Polarizability 39.4384 Å3 Polar Surface Area 51.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.58  LOG S -4.13 
Polar Surface Area 51.66 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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