N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C20H18N6O3S — CID 90510124

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90510124) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
• PubChem CID: 90510124
• Molecular Formula: C20H18N6O3S
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.12
• IUPAC Name: N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1
• InChI: InChI=1S/C20H18N6O3S/c1-13-4-2-6-17(22-13)24-20-23-15(12-30-20)19(28)21-9-10-26-18(27)8-7-14(25-26)16-5-3-11-29-16/h2-8,11-12H,9-10H2,1H3,(H,21,28)(H,22,23,24)
• InChIKey: WGOIBSFWPPJSFY-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 90510124) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1.

What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?

The InChIKey is WGOIBSFWPPJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-13-4-2-6-17(22-13)24-20-23-15(12-30-20)19(28)21-9-10-26-18(27)8-7-14(25-26)16-5-3-11-29-16/h2-8,11-12H,9-10H2,1H3,(H,21,28)(H,22,23,24).

What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).