3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

C17H19N3O2S — CID 135912325

IUPAC3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCCN(CC)Cn1c(O)c(C=C2C=Nc3ccccc32)sc1=O
InChIInChI=1S/C17H19N3O2S/c1-3-19(4-2)11-20-16(21)15(23-17(20)22)9-12-10-18-14-8-6-5-7-13(12)14/h5-10,21H,3-4,11H2,1-2H3
InChIKeyJHGCCTBVGAYJGZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.17
Rot. Bonds5

About 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one

3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (PubChem CID 135912325) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
PubChem CID135912325
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCCN(CC)Cn1c(O)c(C=C2C=Nc3ccccc32)sc1=O
InChIInChI=1S/C17H19N3O2S/c1-3-19(4-2)11-20-16(21)15(23-17(20)22)9-12-10-18-14-8-6-5-7-13(12)14/h5-10,21H,3-4,11H2,1-2H3
InChIKeyJHGCCTBVGAYJGZ-UHFFFAOYSA-N
XLogP3.17
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
CID 135912324
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
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
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
CID 135460586
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
CID 4900555
3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
CID 172709337

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one (CID 135912325) is 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is CCN(CC)Cn1c(O)c(C=C2C=Nc3ccccc32)sc1=O.
What is the InChIKey of 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
The InChIKey is JHGCCTBVGAYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-19(4-2)11-20-16(21)15(23-17(20)22)9-12-10-18-14-8-6-5-7-13(12)14/h5-10,21H,3-4,11H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one?
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one has a molecular weight of 329.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135912325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).