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

C18H12N2O3S2 — CID 1271771

IUPAC3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C18H12N2O3S2/c1-23-11-8-6-10(7-9-11)20-17(22)15(25-18(20)24)14-12-4-2-3-5-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyPQOMYVCZQOLPGI-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds3

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

3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1271771) has the molecular formula C18H12N2O3S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID1271771
Molecular FormulaC18H12N2O3S2
Molecular Weight368.44 g/mol
Exact Mass368.03
IUPAC Name3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C18H12N2O3S2/c1-23-11-8-6-10(7-9-11)20-17(22)15(25-18(20)24)14-12-4-2-3-5-13(12)19-16(14)21/h2-9,22H,1H3
InChIKeyPQOMYVCZQOLPGI-UHFFFAOYSA-N
XLogP2.34
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
3-{1-[(4-methoxyphenyl)amino]ethylidene}-2,4(3H,5H)-thiophenedione
CID 135421546
(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
(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
(3Z)-3-{(2Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
CID 1382375
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
(Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-3-(2-methoxyphenyl)-2-thioxothiazolidin-4-one
CID 1938841
(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

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 1271771) is 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is COc1ccc(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1.
What is the InChIKey of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is PQOMYVCZQOLPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S2/c1-23-11-8-6-10(7-9-11)20-17(22)15(25-18(20)24)14-12-4-2-3-5-13(12)19-16(14)21/h2-9,22H,1H3.
What are the key properties of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).