4-(furan-2-yl)-1,3-thiazole;oxamic acid

C9H8N2O4S — CID 19865345

IUPAC4-(furan-2-yl)-1,3-thiazole;oxamic acid
SMILESNC(=O)C(=O)O.c1coc(-c2cscn2)c1
InChIInChI=1S/C7H5NOS.C2H3NO3/c1-2-7(9-3-1)6-4-10-5-8-6;3-1(4)2(5)6/h1-5H;(H2,3,4)(H,5,6)
InChIKeyZOQBXIDMSZMCLF-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.96
Rot. Bonds1

About 4-(furan-2-yl)-1,3-thiazole;oxamic acid

4-(furan-2-yl)-1,3-thiazole;oxamic acid (PubChem CID 19865345) has the molecular formula C9H8N2O4S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,3-thiazole;oxamic acid.

Molecular Properties

Compound Name4-(furan-2-yl)-1,3-thiazole;oxamic acid
PubChem CID19865345
Molecular FormulaC9H8N2O4S
Molecular Weight240.24 g/mol
Exact Mass240.02
IUPAC Name4-(furan-2-yl)-1,3-thiazole;oxamic acid
SMILESNC(=O)C(=O)O.c1coc(-c2cscn2)c1
InChIInChI=1S/C7H5NOS.C2H3NO3/c1-2-7(9-3-1)6-4-10-5-8-6;3-1(4)2(5)6/h1-5H;(H2,3,4)(H,5,6)
InChIKeyZOQBXIDMSZMCLF-UHFFFAOYSA-N
XLogP0.96
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,3-thiazole;oxamic acid?
The IUPAC name of 4-(furan-2-yl)-1,3-thiazole;oxamic acid (CID 19865345) is 4-(furan-2-yl)-1,3-thiazole;oxamic acid.
What is the SMILES notation for 4-(furan-2-yl)-1,3-thiazole;oxamic acid?
The canonical SMILES for 4-(furan-2-yl)-1,3-thiazole;oxamic acid is NC(=O)C(=O)O.c1coc(-c2cscn2)c1.
What is the InChIKey of 4-(furan-2-yl)-1,3-thiazole;oxamic acid?
The InChIKey is ZOQBXIDMSZMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS.C2H3NO3/c1-2-7(9-3-1)6-4-10-5-8-6;3-1(4)2(5)6/h1-5H;(H2,3,4)(H,5,6).
What are the key properties of 4-(furan-2-yl)-1,3-thiazole;oxamic acid?
4-(furan-2-yl)-1,3-thiazole;oxamic acid has a molecular weight of 240.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,3-thiazole;oxamic acid is sourced from PubChem (CID 19865345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).