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

C14H12N2O2S — CID 135448748

IUPAC3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+
InChIKeyYRARVNVBCHPQET-VQHVLOKHSA-N
MW272.33 g/mol
LogP2.89
Rot. Bonds2

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

3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (PubChem CID 135448748) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
PubChem CID135448748
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+
InChIKeyYRARVNVBCHPQET-VQHVLOKHSA-N
XLogP2.89
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (CID 135448748) is 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is CCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The InChIKey is YRARVNVBCHPQET-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+.
What are the key properties of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one has a molecular weight of 272.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135448748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).