2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C15H14N2O4S — CID 11141677

IUPAC2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccnc(N2C(=O)C(CC(=O)O)SC2c2ccco2)c1
InChIInChI=1S/C15H14N2O4S/c1-9-4-5-16-12(7-9)17-14(20)11(8-13(18)19)22-15(17)10-3-2-6-21-10/h2-7,11,15H,8H2,1H3,(H,18,19)
InChIKeyDUDXAQAZTTUFBQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.60
Rot. Bonds4

About 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 11141677) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID11141677
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1ccnc(N2C(=O)C(CC(=O)O)SC2c2ccco2)c1
InChIInChI=1S/C15H14N2O4S/c1-9-4-5-16-12(7-9)17-14(20)11(8-13(18)19)22-15(17)10-3-2-6-21-10/h2-7,11,15H,8H2,1H3,(H,18,19)
InChIKeyDUDXAQAZTTUFBQ-UHFFFAOYSA-N
XLogP2.60
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 11726036
(2S)-2-(furan-2-yl)-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7289070
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869
2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 42814476
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
CID 6267129
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
2-[(4-methyl-2-pyridinyl)sulfamoyl]acetic acid
CID 28774374
N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42814404
1-(2,4-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655428
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341
1-(3,5-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108653689
1-(3,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108653687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 11141677) is 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is Cc1ccnc(N2C(=O)C(CC(=O)O)SC2c2ccco2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is DUDXAQAZTTUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9-4-5-16-12(7-9)17-14(20)11(8-13(18)19)22-15(17)10-3-2-6-21-10/h2-7,11,15H,8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 11141677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).