5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid

C16H17NO4S — CID 159789278

IUPAC5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESCCOc1ccc(-c2nc(CC(=O)CCC(=O)O)cs2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-21-14-6-3-11(4-7-14)16-17-12(10-22-16)9-13(18)5-8-15(19)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,19,20)
InChIKeyNIISCBGNAPFSHO-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.19
Rot. Bonds8

About 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid

5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid (PubChem CID 159789278) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
PubChem CID159789278
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
SMILESCCOc1ccc(-c2nc(CC(=O)CCC(=O)O)cs2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-21-14-6-3-11(4-7-14)16-17-12(10-22-16)9-13(18)5-8-15(19)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,19,20)
InChIKeyNIISCBGNAPFSHO-UHFFFAOYSA-N
XLogP3.19
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55670001
N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584095
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The IUPAC name of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid (CID 159789278) is 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid.
What is the SMILES notation for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The canonical SMILES for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid is CCOc1ccc(-c2nc(CC(=O)CCC(=O)O)cs2)cc1.
What is the InChIKey of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
The InChIKey is NIISCBGNAPFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-21-14-6-3-11(4-7-14)16-17-12(10-22-16)9-13(18)5-8-15(19)20/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,19,20).
What are the key properties of 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid?
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid has a molecular weight of 319.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid is sourced from PubChem (CID 159789278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).