3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

C19H14N2O2S — CID 135467645

IUPAC3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-11,22H,12H2/b14-10+
InChIKeyLCPQLRCUAOMVOD-GXDHUFHOSA-N
MW334.40 g/mol
LogP3.92
Rot. Bonds3

About 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (PubChem CID 135467645) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
PubChem CID135467645
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-11,22H,12H2/b14-10+
InChIKeyLCPQLRCUAOMVOD-GXDHUFHOSA-N
XLogP3.92
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(Z)-5-((1H-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 135420896
4-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 136174827
5-(Anilinomethylene)-3-benzyl-2-thioxo-1,3-thiazolidin-4-one
CID 1215260
3-(2-fluorobenzyl)-5-(1H-indol-3-ylmethylene)-2,4-imidazolidinedione
CID 135432741
(5Z)-5-[(1H-indol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1543949
3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
CID 135467632
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135467635
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135719225
5-[(1H-Indol-3-yl)methylidene]-1,3-dimethylimidazolidine-2,4-dione
CID 135753564
5-(5-Anilino-2,4-pentadienylidene)-3-benzyl-2-thioxo-1,3-thiazolidin-4-one
CID 135400446

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (CID 135467645) is 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is O=c1sc(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The InChIKey is LCPQLRCUAOMVOD-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-11,22H,12H2/b14-10+.
What are the key properties of 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one has a molecular weight of 334.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135467645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).