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N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-1,9-dioxaspiro[5.5]undecan-4-amine

ChemBase ID: 470585
Molecular Formular: C18H24N4O2S
Molecular Mass: 360.47376
Monoisotopic Mass: 360.16199703
SMILES and InChIs

SMILES:
c1(nc(cs1)CCNC1CC2(OCC1)CCOCC2)c1nccnc1
Canonical SMILES:
O1CCC2(CC1)OCCC(C2)NCCc1csc(n1)c1cnccn1
InChI:
InChI=1S/C18H24N4O2S/c1(15-13-25-17(22-15)16-12-19-6-7-21-16)5-20-14-2-8-24-18(11-14)3-9-23-10-4-18/h6-7,12-14,20H,1-5,8-11H2
InChIKey:
UMGZQHYYLQUHEN-UHFFFAOYSA-N

Cite this record

CBID:470585 http://www.chembase.cn/molecule-470585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-1,9-dioxaspiro[5.5]undecan-4-amine
IUPAC Traditional name
N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-1,9-dioxaspiro[5.5]undecan-4-amine
Synonyms
1,9-dioxaspiro[5.5]undec-4-yl[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33978250 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) -2.8773868  LogD (pH = 7.4) -2.0359178 
Log P 0.33028868  Molar Refractivity 105.948 cm3
Polarizability 38.24587 Å3 Polar Surface Area 69.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.46  LOG S -2.0 
Polar Surface Area 69.16 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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