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4-methyl-2-(propan-2-yl)-N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-thiazole-5-carboxamide

ChemBase ID: 510234
Molecular Formular: C16H18N4O2S2
Molecular Mass: 362.46972
Monoisotopic Mass: 362.08711784
SMILES and InChIs

SMILES:
c1(sc(nc1C)C(C)C)C(=O)NCc1nc(on1)Cc1sccc1
Canonical SMILES:
O=C(c1sc(nc1C)C(C)C)NCc1noc(n1)Cc1cccs1
InChI:
InChI=1S/C16H18N4O2S2/c1-9(2)16-18-10(3)14(24-16)15(21)17-8-12-19-13(22-20-12)7-11-5-4-6-23-11/h4-6,9H,7-8H2,1-3H3,(H,17,21)
InChIKey:
DIRMWCPWYLFLPJ-UHFFFAOYSA-N

Cite this record

CBID:510234 http://www.chembase.cn/molecule-510234.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-2-(propan-2-yl)-N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-thiazole-5-carboxamide
IUPAC Traditional name
2-isopropyl-4-methyl-N-{[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-thiazole-5-carboxamide
Synonyms
2-isopropyl-4-methyl-N-{[5-(2-thienylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-thiazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40495370 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)
Acid pKa 13.489483  H Acceptors
H Donor LogD (pH = 5.5) 3.2804146 
LogD (pH = 7.4) 3.280471  Log P 3.2804723 
Molar Refractivity 94.0511 cm3 Polarizability 34.831673 Å3
Polar Surface Area 80.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.23  LOG S -3.75 
Polar Surface Area 80.91 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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