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

C16H15N5O4S — CID 56761094

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H15N5O4S/c22-13(17-16-19-18-15(26-16)12-4-2-8-25-12)9-21-14(23)6-5-10(20-21)11-3-1-7-24-11/h1,3,5-7,12H,2,4,8-9H2,(H,17,19,22)
InChIKeyPAPHJGMMHGJBME-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.85
Rot. Bonds5

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

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 56761094) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID56761094
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C16H15N5O4S/c22-13(17-16-19-18-15(26-16)12-4-2-8-25-12)9-21-14(23)6-5-10(20-21)11-3-1-7-24-11/h1,3,5-7,12H,2,4,8-9H2,(H,17,19,22)
InChIKeyPAPHJGMMHGJBME-UHFFFAOYSA-N
XLogP1.85
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 56761094) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PAPHJGMMHGJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S/c22-13(17-16-19-18-15(26-16)12-4-2-8-25-12)9-21-14(23)6-5-10(20-21)11-3-1-7-24-11/h1,3,5-7,12H,2,4,8-9H2,(H,17,19,22).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 56761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).