3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one

C13H10N2O2S2 — CID 1358200

IUPAC3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one
SMILESCc1cc(C)c2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C13H10N2O2S2/c1-5-3-6(2)9-7(4-5)8(11(16)14-9)10-12(17)15-13(18)19-10/h3-4,17H,1-2H3,(H,15,18)
InChIKeyWEXGJYXIPHHZSK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.49
Rot. Bonds1

About 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one

3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one (PubChem CID 1358200) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one
PubChem CID1358200
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one
SMILESCc1cc(C)c2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2
InChIInChI=1S/C13H10N2O2S2/c1-5-3-6(2)9-7(4-5)8(11(16)14-9)10-12(17)15-13(18)19-10/h3-4,17H,1-2H3,(H,15,18)
InChIKeyWEXGJYXIPHHZSK-UHFFFAOYSA-N
XLogP1.49
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one?
The IUPAC name of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one (CID 1358200) is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one is Cc1cc(C)c2c(c1)=C(c1sc(=S)[nH]c1O)C(=O)N=2.
What is the InChIKey of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one?
The InChIKey is WEXGJYXIPHHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-5-3-6(2)9-7(4-5)8(11(16)14-9)10-12(17)15-13(18)19-10/h3-4,17H,1-2H3,(H,15,18).
What are the key properties of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one?
3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-5,7-dimethylindol-2-one is sourced from PubChem (CID 1358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).