5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C14H14BrN3O2S — CID 106923228

IUPAC5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nc(C)co3)c(Br)cc21
InChIInChI=1S/C14H14BrN3O2S/c1-3-16-12-8-4-9(15)11(5-10(8)18-13(12)19)21-14-17-7(2)6-20-14/h4-6,12,16H,3H2,1-2H3,(H,18,19)
InChIKeyKXDNJFGPGUEAPJ-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.50
Rot. Bonds4

About 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923228) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923228
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nc(C)co3)c(Br)cc21
InChIInChI=1S/C14H14BrN3O2S/c1-3-16-12-8-4-9(15)11(5-10(8)18-13(12)19)21-14-17-7(2)6-20-14/h4-6,12,16H,3H2,1-2H3,(H,18,19)
InChIKeyKXDNJFGPGUEAPJ-UHFFFAOYSA-N
XLogP3.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923029
5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923053
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095
5-Bromo-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923119
5-Bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923142
3-Amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923156
5-Chloro-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923175
3-(Methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923180
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923181
3-(Ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923194
5-Chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923206
5-Bromo-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923228) is 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3nc(C)co3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is KXDNJFGPGUEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-3-16-12-8-4-9(15)11(5-10(8)18-13(12)19)21-14-17-7(2)6-20-14/h4-6,12,16H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 368.26 g/mol, XLogP of 3.50, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).