2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

C9H6N2O4S — CID 3068162

IUPAC2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C9H6N2O4S/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyQBSXPIUJNJRTTF-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.43
Rot. Bonds2

About 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 3068162) has the molecular formula C9H6N2O4S and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID3068162
Molecular FormulaC9H6N2O4S
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC Name2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C9H6N2O4S/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyQBSXPIUJNJRTTF-UHFFFAOYSA-N
XLogP1.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.43
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 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 3068162) is 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is O=C(O)C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is QBSXPIUJNJRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4S/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12).
What are the key properties of 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 238.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 3068162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).