3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one

C13H11N3O3S — CID 1342535

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one
SMILESCCOc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2
InChIInChI=1S/C13H11N3O3S/c1-2-19-6-3-4-8-7(5-6)9(11(17)15-8)10-12(18)16-13(14)20-10/h3-5,18H,2H2,1H3,(H2,14,16)
InChIKeyFUYWGPSDPYOFSK-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.19
Rot. Bonds3

About 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one (PubChem CID 1342535) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one
PubChem CID1342535
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one
SMILESCCOc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2
InChIInChI=1S/C13H11N3O3S/c1-2-19-6-3-4-8-7(5-6)9(11(17)15-8)10-12(18)16-13(14)20-10/h3-5,18H,2H2,1H3,(H2,14,16)
InChIKeyFUYWGPSDPYOFSK-UHFFFAOYSA-N
XLogP0.19
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one (CID 1342535) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one is CCOc1ccc2c(c1)=C(c1sc(N)nc1O)C(=O)N=2.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one?
The InChIKey is FUYWGPSDPYOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-2-19-6-3-4-8-7(5-6)9(11(17)15-8)10-12(18)16-13(14)20-10/h3-5,18H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one has a molecular weight of 289.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-5-ethoxyindol-2-one is sourced from PubChem (CID 1342535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).