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

C13H10N2O2S2 — CID 1202309

IUPAC7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
SMILESCCc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C13H10N2O2S2/c1-2-6-4-3-5-7-8(11(16)14-9(6)7)10-12(17)15-13(18)19-10/h3-5,17H,2H2,1H3,(H,15,18)
InChIKeyRXHYCUGMEFLTLT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.43
Rot. Bonds2

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

7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1202309) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
PubChem CID1202309
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one
SMILESCCc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C13H10N2O2S2/c1-2-6-4-3-5-7-8(11(16)14-9(6)7)10-12(17)15-13(18)19-10/h3-5,17H,2H2,1H3,(H,15,18)
InChIKeyRXHYCUGMEFLTLT-UHFFFAOYSA-N
XLogP1.43
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.43
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 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one (CID 1202309) is 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one is CCc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O.
What is the InChIKey of 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is RXHYCUGMEFLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-2-6-4-3-5-7-8(11(16)14-9(6)7)10-12(17)15-13(18)19-10/h3-5,17H,2H2,1H3,(H,15,18).
What are the key properties of 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one?
7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).