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

C12H11N3O2S — CID 106923225

IUPAC3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C12H11N3O2S/c1-6-5-17-12(14-6)18-7-2-3-8-9(4-7)15-11(16)10(8)13/h2-5,10H,13H2,1H3,(H,15,16)
InChIKeyTUUIPXPYPUSNDO-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.09
Rot. Bonds2

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

3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923225) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923225
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C12H11N3O2S/c1-6-5-17-12(14-6)18-7-2-3-8-9(4-7)15-11(16)10(8)13/h2-5,10H,13H2,1H3,(H,15,16)
InChIKeyTUUIPXPYPUSNDO-UHFFFAOYSA-N
XLogP2.09
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 106923055
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
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
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923225) is 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1coc(Sc2ccc3c(c2)NC(=O)C3N)n1.
What is the InChIKey of 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is TUUIPXPYPUSNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-6-5-17-12(14-6)18-7-2-3-8-9(4-7)15-11(16)10(8)13/h2-5,10H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).