2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H11N5O3S — CID 7659463

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C13H11N5O3S/c1-8-15-16-13(22-8)14-11(19)7-18-12(20)5-4-9(17-18)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,14,16,19)
InChIKeyXUMALLJBPPZVBQ-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.30
Rot. Bonds4

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7659463) has the molecular formula C13H11N5O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7659463
Molecular FormulaC13H11N5O3S
Molecular Weight317.33 g/mol
Exact Mass317.06
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C13H11N5O3S/c1-8-15-16-13(22-8)14-11(19)7-18-12(20)5-4-9(17-18)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,14,16,19)
InChIKeyXUMALLJBPPZVBQ-UHFFFAOYSA-N
XLogP1.30
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7659463) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XUMALLJBPPZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S/c1-8-15-16-13(22-8)14-11(19)7-18-12(20)5-4-9(17-18)10-3-2-6-21-10/h2-6H,7H2,1H3,(H,14,16,19).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 317.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7659463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).