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3-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}pyrrolidin-2-yl)-5-(propan-2-yl)-1,2-oxazole

ChemBase ID: 510032
Molecular Formular: C16H18N4O2S
Molecular Mass: 330.40472
Monoisotopic Mass: 330.11504684
SMILES and InChIs

SMILES:
c1(nc2n(c1)ccs2)C(=O)N1C(c2noc(c2)C(C)C)CCC1
Canonical SMILES:
O=C(N1CCCC1c1noc(c1)C(C)C)c1cn2c(n1)scc2
InChI:
InChI=1S/C16H18N4O2S/c1-10(2)14-8-11(18-22-14)13-4-3-5-20(13)15(21)12-9-19-6-7-23-16(19)17-12/h6-10,13H,3-5H2,1-2H3
InChIKey:
VIBHXTGCVUMGLU-UHFFFAOYSA-N

Cite this record

CBID:510032 http://www.chembase.cn/molecule-510032.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}pyrrolidin-2-yl)-5-(propan-2-yl)-1,2-oxazole
IUPAC Traditional name
3-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}pyrrolidin-2-yl)-5-isopropyl-1,2-oxazole
Synonyms
6-{[2-(5-isopropyl-3-isoxazolyl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40460024 external link Add to cart
Data Source Data ID Price
ChemBridge
40460024 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.352362  LogD (pH = 7.4) 2.3523939 
Log P 2.352394  Molar Refractivity 98.9762 cm3
Polarizability 32.55111 Å3 Polar Surface Area 63.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.12  LOG S -3.42 
Polar Surface Area 63.64 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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