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5-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methyl-1,3-benzothiazole

ChemBase ID: 341760
Molecular Formular: C15H18N2O2S
Molecular Mass: 290.38062
Monoisotopic Mass: 290.10889883
SMILES and InChIs

SMILES:
C(=O)(N1[C@H](COCC1)CC)c1cc2nc(sc2cc1)C
Canonical SMILES:
CC[C@H]1COCCN1C(=O)c1ccc2c(c1)nc(s2)C
InChI:
InChI=1S/C15H18N2O2S/c1-3-12-9-19-7-6-17(12)15(18)11-4-5-14-13(8-11)16-10(2)20-14/h4-5,8,12H,3,6-7,9H2,1-2H3/t12-/m0/s1
InChIKey:
FNNAVEHRBIKBHN-LBPRGKRZSA-N

Cite this record

CBID:341760 http://www.chembase.cn/molecule-341760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methyl-1,3-benzothiazole
IUPAC Traditional name
5-[(3S)-3-ethylmorpholine-4-carbonyl]-2-methyl-1,3-benzothiazole
Synonyms
5-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-2-methyl-1,3-benzothiazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14064524 external link Add to cart
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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) 2.2549555  LogD (pH = 7.4) 2.2551239 
Log P 2.255126  Molar Refractivity 78.4585 cm3
Polarizability 31.227116 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.1  LOG S -2.26 
Polar Surface Area 42.43 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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