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

C19H14N2O3S2 — CID 1385322

IUPAC3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C19H14N2O3S2/c1-2-24-12-9-7-11(8-10-12)21-18(23)16(26-19(21)25)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeyDKTIXYLJFSRGGK-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.73
Rot. Bonds4

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

3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1385322) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1385322
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC Name3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C19H14N2O3S2/c1-2-24-12-9-7-11(8-10-12)21-18(23)16(26-19(21)25)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeyDKTIXYLJFSRGGK-UHFFFAOYSA-N
XLogP2.73
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-5-bromo-3-{(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
CID 1182675
3-(2,4-dimethoxyphenyl)-5-(5-fluoro-2-oxo(1H-benzo[d]azolin-3-ylidene))-2-thio xo-1,3-thiazolidin-4-one
CID 4515427
(Z)-3-(4-hydroxyphenyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
CID 1377786
(Z)-5-(5-bromo-2-oxoindolin-3-ylidene)-3-(4-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1230233
(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
3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)azamethylene]-5-(2-oxo(1H-benzo[d]azol in-3-ylidene))-1,3-thiazolidin-4-one
CID 1235117
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1303831
(2Z,5E)-3-(4-ethoxyphenyl)-2-((4-ethoxyphenyl)imino)-5-(2-oxoindolin-3-ylidene)thiazolidin-4-one
CID 1382374
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazol-2-one
CID 135575320
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(3-methoxyphenyl)-1,3-thiazol-2-one
CID 135575324
5-(5-Fluoro-2-oxoindol-3-yl)-4-hydroxy-3-(4-methoxyphenyl)-1,3-thiazol-2-one
CID 135575326

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1385322) is 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is CCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is DKTIXYLJFSRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-2-24-12-9-7-11(8-10-12)21-18(23)16(26-19(21)25)15-13-5-3-4-6-14(13)20-17(15)22/h3-10,23H,2H2,1H3.
What are the key properties of 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 382.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1385322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).