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5-[4-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)phenyl]imidazolidine-2,4-dione

ChemBase ID: 360228
Molecular Formular: C16H11FN4O2S
Molecular Mass: 342.3475432
Monoisotopic Mass: 342.05867483
SMILES and InChIs

SMILES:
N1C(=O)C(NC1=O)c1ccc(c2c3nc(sc3cc(c2)F)N)cc1
Canonical SMILES:
O=C1NC(=O)C(N1)c1ccc(cc1)c1cc(F)cc2c1nc(s2)N
InChI:
InChI=1S/C16H11FN4O2S/c17-9-5-10(13-11(6-9)24-15(18)19-13)7-1-3-8(4-2-7)12-14(22)21-16(23)20-12/h1-6,12H,(H2,18,19)(H2,20,21,22,23)
InChIKey:
LRSFXAQWVGMLIE-UHFFFAOYSA-N

Cite this record

CBID:360228 http://www.chembase.cn/molecule-360228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[4-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)phenyl]imidazolidine-2,4-dione
IUPAC Traditional name
5-[4-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)phenyl]imidazolidine-2,4-dione
Synonyms
5-[4-(2-amino-6-fluoro-1,3-benzothiazol-4-yl)phenyl]imidazolidine-2,4-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.303425  H Acceptors
H Donor LogD (pH = 5.5) 2.247244 
LogD (pH = 7.4) 2.2660406  Log P 2.2716863 
Molar Refractivity 86.001 cm3 Polarizability 34.573254 Å3
Polar Surface Area 97.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.91  LOG S -3.33 
Polar Surface Area 97.11 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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