5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

C13H12BrN3O2S — CID 106923142

IUPAC5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C13H12BrN3O2S/c1-2-15-11-7-5-8(14)10(6-9(7)17-12(11)18)20-13-16-3-4-19-13/h3-6,11,15H,2H2,1H3,(H,17,18)
InChIKeyINMQFOOJROZJFS-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 106923142) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID106923142
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC Name5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C13H12BrN3O2S/c1-2-15-11-7-5-8(14)10(6-9(7)17-12(11)18)20-13-16-3-4-19-13/h3-6,11,15H,2H2,1H3,(H,17,18)
InChIKeyINMQFOOJROZJFS-UHFFFAOYSA-N
XLogP3.19
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
5-Chloro-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923077
5-Chloro-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923081
3-(Methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923088
6-(1,3-Oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923089
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
5-Chloro-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923118
5-Bromo-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923119
3-Amino-5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923129
3-Amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923156

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 106923142) is 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is INMQFOOJROZJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c1-2-15-11-7-5-8(14)10(6-9(7)17-12(11)18)20-13-16-3-4-19-13/h3-6,11,15H,2H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 354.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).