3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one

C13H11N3O2S — CID 1221270

IUPAC3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one
SMILESCCc1cccc2c1=NC(=O)C=2c1sc(N)nc1O
InChIInChI=1S/C13H11N3O2S/c1-2-6-4-3-5-7-8(11(17)15-9(6)7)10-12(18)16-13(14)19-10/h3-5,18H,2H2,1H3,(H2,14,16)
InChIKeyJQDOHMLUXUPTOJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP0.35
Rot. Bonds2

About 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one

3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one (PubChem CID 1221270) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one.

Molecular Properties

Compound Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one
PubChem CID1221270
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one
SMILESCCc1cccc2c1=NC(=O)C=2c1sc(N)nc1O
InChIInChI=1S/C13H11N3O2S/c1-2-6-4-3-5-7-8(11(17)15-9(6)7)10-12(18)16-13(14)19-10/h3-5,18H,2H2,1H3,(H2,14,16)
InChIKeyJQDOHMLUXUPTOJ-UHFFFAOYSA-N
XLogP0.35
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one?
The IUPAC name of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one (CID 1221270) is 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one.
What is the SMILES notation for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one?
The canonical SMILES for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one is CCc1cccc2c1=NC(=O)C=2c1sc(N)nc1O.
What is the InChIKey of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one?
The InChIKey is JQDOHMLUXUPTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-6-4-3-5-7-8(11(17)15-9(6)7)10-12(18)16-13(14)19-10/h3-5,18H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one?
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one has a molecular weight of 273.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-7-ethylindol-2-one is sourced from PubChem (CID 1221270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).