N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide

C24H28N4O3S — CID 121397399

About N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide

N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide (PubChem CID 121397399) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
• PubChem CID: 121397399
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide
• SMILES: Cc1ccc([C@@H](C)NC(=O)c2cc(OCC3CCOCC3)cc(-c3ncc(C)s3)c2)nn1
• InChI: InChI=1S/C24H28N4O3S/c1-15-4-5-22(28-27-15)17(3)26-23(29)19-10-20(24-25-13-16(2)32-24)12-21(11-19)31-14-18-6-8-30-9-7-18/h4-5,10-13,17-18H,6-9,14H2,1-3H3,(H,26,29)/t17-/m1/s1
• InChIKey: FNFCPAXHCILJLE-QGZVFWFLSA-N
• XLogP: 4.51
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?

The IUPAC name of N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide (CID 121397399) is N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide.

What is the SMILES notation for N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?

The canonical SMILES for N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide is Cc1ccc([C@@H](C)NC(=O)c2cc(OCC3CCOCC3)cc(-c3ncc(C)s3)c2)nn1.

What is the InChIKey of N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?

The InChIKey is FNFCPAXHCILJLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-15-4-5-22(28-27-15)17(3)26-23(29)19-10-20(24-25-13-16(2)32-24)12-21(11-19)31-14-18-6-8-30-9-7-18/h4-5,10-13,17-18H,6-9,14H2,1-3H3,(H,26,29)/t17-/m1/s1.

What are the key properties of N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide?

N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 121397399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).