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

C16H14N2O4S — CID 135440828

IUPACethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C16H14N2O4S/c1-2-22-14(19)9-18-15(20)13(23-16(18)21)7-10-8-17-12-6-4-3-5-11(10)12/h3-8,20H,2,9H2,1H3/b10-7+
InChIKeyGMXZFTWKKUXYDS-JXMROGBWSA-N
MW330.37 g/mol
LogP2.43
Rot. Bonds4

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

ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate (PubChem CID 135440828) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
PubChem CID135440828
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Nameethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C16H14N2O4S/c1-2-22-14(19)9-18-15(20)13(23-16(18)21)7-10-8-17-12-6-4-3-5-11(10)12/h3-8,20H,2,9H2,1H3/b10-7+
InChIKeyGMXZFTWKKUXYDS-JXMROGBWSA-N
XLogP2.43
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 135420784
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
1-[2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylic acid
CID 4900555
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
2-methylpropyl 2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetate
CID 137117277
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
CID 135912324
1-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]piperidine-2-carboxylic acid
CID 135678426
6-[[2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetyl]amino]hexanoic acid
CID 137262310
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
3-(4-ethoxyanilino)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137262240
[(2R)-butan-2-yl] 2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetate
CID 137021971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate (CID 135440828) is ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate is CCOC(=O)Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O.
What is the InChIKey of ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate?
The InChIKey is GMXZFTWKKUXYDS-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-22-14(19)9-18-15(20)13(23-16(18)21)7-10-8-17-12-6-4-3-5-11(10)12/h3-8,20H,2,9H2,1H3/b10-7+.
What are the key properties of ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate?
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate has a molecular weight of 330.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate is sourced from PubChem (CID 135440828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).