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

C20H16N2O2S — CID 137263318

IUPAC3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCc1ccc(-n2c(O)c(/C=C3/C=Nc4ccccc43)sc2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-13-7-9-15(10-8-13)22-19(23)18(25-20(22)24)11-14-12-21-17-6-4-3-5-16(14)17/h3-12,23H,2H2,1H3/b14-11-
InChIKeyAFLFPYRRDCJYCY-KAMYIIQDSA-N
MW348.43 g/mol
LogP4.42
Rot. Bonds3

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

3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (PubChem CID 137263318) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
PubChem CID137263318
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCc1ccc(-n2c(O)c(/C=C3/C=Nc4ccccc43)sc2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-13-7-9-15(10-8-13)22-19(23)18(25-20(22)24)11-14-12-21-17-6-4-3-5-16(14)17/h3-12,23H,2H2,1H3/b14-11-
InChIKeyAFLFPYRRDCJYCY-KAMYIIQDSA-N
XLogP4.42
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
2-[4-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]phenyl]acetic acid
CID 135995867
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
1-(4-ethylphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 3941895
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
ethyl 3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate
CID 137266478
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
CID 135912324
3-(4-ethoxyanilino)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137262240
3-ethyl-2-ethylimino-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135537913
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (CID 137263318) is 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is CCc1ccc(-n2c(O)c(/C=C3/C=Nc4ccccc43)sc2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The InChIKey is AFLFPYRRDCJYCY-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-2-13-7-9-15(10-8-13)22-19(23)18(25-20(22)24)11-14-12-21-17-6-4-3-5-16(14)17/h3-12,23H,2H2,1H3/b14-11-.
What are the key properties of 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one has a molecular weight of 348.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 137263318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).