4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

C15H14N4O3S — CID 42111144

IUPAC4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1nccs1
InChIInChI=1S/C15H14N4O3S/c20-13(17-15-16-7-10-23-15)4-1-8-19-14(21)6-5-11(18-19)12-3-2-9-22-12/h2-3,5-7,9-10H,1,4,8H2,(H,16,17,20)
InChIKeyAWGSKSCIZBHTMR-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.38
Rot. Bonds6

About 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide

4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 42111144) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID42111144
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1nccs1
InChIInChI=1S/C15H14N4O3S/c20-13(17-15-16-7-10-23-15)4-1-8-19-14(21)6-5-11(18-19)12-3-2-9-22-12/h2-3,5-7,9-10H,1,4,8H2,(H,16,17,20)
InChIKeyAWGSKSCIZBHTMR-UHFFFAOYSA-N
XLogP2.38
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (CID 42111144) is 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1nccs1.
What is the InChIKey of 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is AWGSKSCIZBHTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c20-13(17-15-16-7-10-23-15)4-1-8-19-14(21)6-5-11(18-19)12-3-2-9-22-12/h2-3,5-7,9-10H,1,4,8H2,(H,16,17,20).
What are the key properties of 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 330.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 42111144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).