3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

C17H10N2O3S2 — CID 2046329

IUPAC3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2cccc(O)c2)c1O
InChIInChI=1S/C17H10N2O3S2/c20-10-5-3-4-9(8-10)19-16(22)14(24-17(19)23)13-11-6-1-2-7-12(11)18-15(13)21/h1-8,20,22H
InChIKeyFRMAGYMYDWVJOX-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.04
Rot. Bonds2

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

3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 2046329) has the molecular formula C17H10N2O3S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID2046329
Molecular FormulaC17H10N2O3S2
Molecular Weight354.41 g/mol
Exact Mass354.01
IUPAC Name3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2cccc(O)c2)c1O
InChIInChI=1S/C17H10N2O3S2/c20-10-5-3-4-9(8-10)19-16(22)14(24-17(19)23)13-11-6-1-2-7-12(11)18-15(13)21/h1-8,20,22H
InChIKeyFRMAGYMYDWVJOX-UHFFFAOYSA-N
XLogP2.04
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 2046329) is 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(=S)n(-c2cccc(O)c2)c1O.
What is the InChIKey of 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is FRMAGYMYDWVJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3S2/c20-10-5-3-4-9(8-10)19-16(22)14(24-17(19)23)13-11-6-1-2-7-12(11)18-15(13)21/h1-8,20,22H.
What are the key properties of 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 2046329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).