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

C16H17N5O3S — CID 56761942

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C16H17N5O3S/c1-10(2)8-14-18-19-16(25-14)17-13(22)9-21-15(23)6-5-11(20-21)12-4-3-7-24-12/h3-7,10H,8-9H2,1-2H3,(H,17,19,22)
InChIKeyINJXEUVOZOHWGG-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.19
Rot. Bonds6

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

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 56761942) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID56761942
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C16H17N5O3S/c1-10(2)8-14-18-19-16(25-14)17-13(22)9-21-15(23)6-5-11(20-21)12-4-3-7-24-12/h3-7,10H,8-9H2,1-2H3,(H,17,19,22)
InChIKeyINJXEUVOZOHWGG-UHFFFAOYSA-N
XLogP2.19
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 56761942) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is INJXEUVOZOHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10(2)8-14-18-19-16(25-14)17-13(22)9-21-15(23)6-5-11(20-21)12-4-3-7-24-12/h3-7,10H,8-9H2,1-2H3,(H,17,19,22).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.19, 6 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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 56761942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).