3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

C13H10N2O2S2 — CID 1321911

IUPAC3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C13H10N2O2S2/c1-2-15-12(17)10(19-13(15)18)9-7-5-3-4-6-8(7)14-11(9)16/h3-6,17H,2H2,1H3
InChIKeyMFOJZGAHSPFTDO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.36
Rot. Bonds2

About 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1321911) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
PubChem CID1321911
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESCCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C13H10N2O2S2/c1-2-15-12(17)10(19-13(15)18)9-7-5-3-4-6-8(7)14-11(9)16/h3-6,17H,2H2,1H3
InChIKeyMFOJZGAHSPFTDO-UHFFFAOYSA-N
XLogP1.36
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (CID 1321911) is 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S.
What is the InChIKey of 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is MFOJZGAHSPFTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-2-15-12(17)10(19-13(15)18)9-7-5-3-4-6-8(7)14-11(9)16/h3-6,17H,2H2,1H3.
What are the key properties of 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1321911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).