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

C17H10N2O3S2 — CID 1377786

IUPAC3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H10N2O3S2/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H
InChIKeyNCCRYVKVQSFBQQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.04
Rot. Bonds2

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

3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1377786) has the molecular formula C17H10N2O3S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1377786
Molecular FormulaC17H10N2O3S2
Molecular Weight354.41 g/mol
Exact Mass354.01
IUPAC Name3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C17H10N2O3S2/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H
InChIKeyNCCRYVKVQSFBQQ-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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Related Compounds

2-[(4-hydroxyphenyl)azamethylene]-5-(2-oxo(1H-benzo[d]azolin-3-ylidene))-3-pro p-2-enyl-1,3-thiazolidin-4-one
CID 1522346
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1230233
(3Z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1385322
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-ethoxyphenyl)-2-thioxothiazolidin-4-one
CID 1274063
3-(4-Ethoxy-phenyl)-5-(2-oxo-1,2-dihydro-indol-3-ylidene)-thiazolidine-2,4-dione
CID 600243
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1303831
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-methoxyphenyl)-1,3-thiazol-2-one
CID 135575326
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-hydroxyphenyl)-1,3-thiazol-2-one
CID 135711385
(3Z)-5-bromo-3-[3-(4-hydroxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1202916
(E)-3-(4-methoxyphenyl)-5-(2-oxoindolin-3-ylidene)thiazolidine-2,4-dione
CID 1205946
(3Z)-3-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1271771
(Z)-3-(2-methoxyphenyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
CID 1275301

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1377786) is 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(=S)n(-c2ccc(O)cc2)c1O.
What is the InChIKey of 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is NCCRYVKVQSFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3S2/c20-10-7-5-9(6-8-10)19-16(22)14(24-17(19)23)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,20,22H.
What are the key properties of 3-[4-hydroxy-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(4-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-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1377786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).