3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid

C11H11NO4S — CID 43286910

IUPAC3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESCc1ccc(-c2csc(=O)n2CCC(=O)O)o1
InChIInChI=1S/C11H11NO4S/c1-7-2-3-9(16-7)8-6-17-11(15)12(8)5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHTOPYTHFLOFHKY-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.95
Rot. Bonds4

About 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid

3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid (PubChem CID 43286910) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
PubChem CID43286910
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESCc1ccc(-c2csc(=O)n2CCC(=O)O)o1
InChIInChI=1S/C11H11NO4S/c1-7-2-3-9(16-7)8-6-17-11(15)12(8)5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyHTOPYTHFLOFHKY-UHFFFAOYSA-N
XLogP1.95
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286918
3-[4-(4-bromothiophen-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 107355185
3-[4-(5-bromo-2-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82970922
4-[4-(2,5-dimethylphenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43243704
4-[4-(4-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286997
3-[4-(4-chloro-3-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286917
3-(4-hexyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 102625996
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
4-[4-(3-bromophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286966
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
3-(4-cyclohexyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 43805690
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid (CID 43286910) is 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid is Cc1ccc(-c2csc(=O)n2CCC(=O)O)o1.
What is the InChIKey of 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The InChIKey is HTOPYTHFLOFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-7-2-3-9(16-7)8-6-17-11(15)12(8)5-4-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid has a molecular weight of 253.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid is sourced from PubChem (CID 43286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).