N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide

C22H24N4O3S — CID 121397221

About N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide

N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide (PubChem CID 121397221) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide
• PubChem CID: 121397221
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide
• SMILES: Cc1ccc(CNC(=O)c2cc(OC[C@@H]3CCOC3)cc(-c3ncc(C)s3)c2)nn1
• InChI: InChI=1S/C22H24N4O3S/c1-14-3-4-19(26-25-14)11-23-21(27)17-7-18(22-24-10-15(2)30-22)9-20(8-17)29-13-16-5-6-28-12-16/h3-4,7-10,16H,5-6,11-13H2,1-2H3,(H,23,27)/t16-/m1/s1
• InChIKey: SKNHRCMFBDROGE-MRXNPFEDSA-N
• XLogP: 3.56
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide?

The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide (CID 121397221) is N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide.

What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide?

The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide is Cc1ccc(CNC(=O)c2cc(OC[C@@H]3CCOC3)cc(-c3ncc(C)s3)c2)nn1.

What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide?

The InChIKey is SKNHRCMFBDROGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-3-4-19(26-25-14)11-23-21(27)17-7-18(22-24-10-15(2)30-22)9-20(8-17)29-13-16-5-6-28-12-16/h3-4,7-10,16H,5-6,11-13H2,1-2H3,(H,23,27)/t16-/m1/s1.

What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide?

N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide is sourced from PubChem (CID 121397221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).