5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide

C12H10N4O3S — CID 23241705

IUPAC5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H10N4O3S/c1-13-11(18)8-10(20-16-15-8)9(17)12(19)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18)(H,14,19)
InChIKeyZFXLKJISMMLFDB-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.72
Rot. Bonds4

About 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide

5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide (PubChem CID 23241705) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide
PubChem CID23241705
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H10N4O3S/c1-13-11(18)8-10(20-16-15-8)9(17)12(19)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18)(H,14,19)
InChIKeyZFXLKJISMMLFDB-UHFFFAOYSA-N
XLogP0.72
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide (CID 23241705) is 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1C(=O)C(=O)Nc1ccccc1.
What is the InChIKey of 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide?
The InChIKey is ZFXLKJISMMLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-13-11(18)8-10(20-16-15-8)9(17)12(19)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18)(H,14,19).
What are the key properties of 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide?
5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-2-oxoacetyl)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 23241705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).