4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C19H18N6O2S2 — CID 71790891

About 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71790891) has the molecular formula C19H18N6O2S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 71790891
• Molecular Formula: C19H18N6O2S2
• Molecular Weight: 426.53 g/mol
• Exact Mass: 426.09
• IUPAC Name: 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccs2)sc1C(=O)NCCn1nc(-n2ccnc2C)ccc1=O
• InChI: InChI=1S/C19H18N6O2S2/c1-12-17(29-19(22-12)14-4-3-11-28-14)18(27)21-8-10-25-16(26)6-5-15(23-25)24-9-7-20-13(24)2/h3-7,9,11H,8,10H2,1-2H3,(H,21,27)
• InChIKey: GKQXSLSKWNMYTL-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.53
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 71790891) is 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NCCn1nc(-n2ccnc2C)ccc1=O.

What is the InChIKey of 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is GKQXSLSKWNMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S2/c1-12-17(29-19(22-12)14-4-3-11-28-14)18(27)21-8-10-25-16(26)6-5-15(23-25)24-9-7-20-13(24)2/h3-7,9,11H,8,10H2,1-2H3,(H,21,27).

What are the key properties of 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[3-(2-methylimidazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).