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

C14H13N5O3S — CID 7659464

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C14H13N5O3S/c1-2-12-16-17-14(23-12)15-11(20)8-19-13(21)6-5-9(18-19)10-4-3-7-22-10/h3-7H,2,8H2,1H3,(H,15,17,20)
InChIKeyJVGQZVWUYSCJEG-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.56
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659464) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659464
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1
InChIInChI=1S/C14H13N5O3S/c1-2-12-16-17-14(23-12)15-11(20)8-19-13(21)6-5-9(18-19)10-4-3-7-22-10/h3-7H,2,8H2,1H3,(H,15,17,20)
InChIKeyJVGQZVWUYSCJEG-UHFFFAOYSA-N
XLogP1.56
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 7659464) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is CCc1nnc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is JVGQZVWUYSCJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-2-12-16-17-14(23-12)15-11(20)8-19-13(21)6-5-9(18-19)10-4-3-7-22-10/h3-7H,2,8H2,1H3,(H,15,17,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 331.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).