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

C24H18N2O3S — CID 135968366

IUPAC4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1CCOc1cccc2ccccc12
InChIInChI=1S/C24H18N2O3S/c27-23-22(14-17-15-25-20-10-4-3-8-18(17)20)30-24(28)26(23)12-13-29-21-11-5-7-16-6-1-2-9-19(16)21/h1-11,14-15,27H,12-13H2/b17-14-
InChIKeyPRPHUZMKWKLADU-VKAVYKQESA-N
MW414.49 g/mol
LogP5.10
Rot. Bonds5

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

4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one (PubChem CID 135968366) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
PubChem CID135968366
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1CCOc1cccc2ccccc12
InChIInChI=1S/C24H18N2O3S/c27-23-22(14-17-15-25-20-10-4-3-8-18(17)20)30-24(28)26(23)12-13-29-21-11-5-7-16-6-1-2-9-19(16)21/h1-11,14-15,27H,12-13H2/b17-14-
InChIKeyPRPHUZMKWKLADU-VKAVYKQESA-N
XLogP5.10
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one (CID 135968366) is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one is O=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1CCOc1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one?
The InChIKey is PRPHUZMKWKLADU-VKAVYKQESA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-23-22(14-17-15-25-20-10-4-3-8-18(17)20)30-24(28)26(23)12-13-29-21-11-5-7-16-6-1-2-9-19(16)21/h1-11,14-15,27H,12-13H2/b17-14-.
What are the key properties of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one?
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one has a molecular weight of 414.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 135968366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).