2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

C16H12N2O5S — CID 2310898

IUPAC2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1
InChIKeyQZLIYIRNKHHIQU-WGKGOADCSA-N
MW344.35 g/mol
LogP2.40
Rot. Bonds4

About 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 2310898) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID2310898
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1
InChIKeyQZLIYIRNKHHIQU-WGKGOADCSA-N
XLogP2.40
TPSA100.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 2310898) is 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is QZLIYIRNKHHIQU-WGKGOADCSA-N. The full InChI is InChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1.
What are the key properties of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 344.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 2310898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).