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1-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethan-1-one

ChemBase ID: 470427
Molecular Formular: C18H25N5OS
Molecular Mass: 359.489
Monoisotopic Mass: 359.17798145
SMILES and InChIs

SMILES:
c12=NCCCn1c(CC(=O)N1CC(c3n(ccn3)CC)CCC1)cs2
Canonical SMILES:
CCn1ccnc1C1CCCN(C1)C(=O)Cc1csc2=NCCCn12
InChI:
InChI=1S/C18H25N5OS/c1-2-21-10-7-19-17(21)14-5-3-8-22(12-14)16(24)11-15-13-25-18-20-6-4-9-23(15)18/h7,10,13-14H,2-6,8-9,11-12H2,1H3
InChIKey:
QLPRYCOZKRBGFW-UHFFFAOYSA-N

Cite this record

CBID:470427 http://www.chembase.cn/molecule-470427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethan-1-one
IUPAC Traditional name
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}ethanone
Synonyms
3-{2-[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33952731 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) -1.2621791  LogD (pH = 7.4) 0.54287225 
Log P 0.6612832  Molar Refractivity 102.2295 cm3
Polarizability 38.425854 Å3 Polar Surface Area 53.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.95  LOG S -2.63 
Polar Surface Area 53.73 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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