3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide

C23H26N4O3S — CID 134328010

About 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide

3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide (PubChem CID 134328010) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide.

Molecular Properties

• Compound Name: 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
• PubChem CID: 134328010
• Molecular Formula: C23H26N4O3S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.17
• IUPAC Name: 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
• SMILES: CCc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)NC(C)c3ccc(C)nn3)c2)s1
• InChI: InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15?,18-/m1/s1
• InChIKey: OXXUGGORGDKECE-KPMSDPLLSA-N
• XLogP: 4.13
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide (CID 134328010) is 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide.

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

The canonical SMILES for 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide is CCc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)NC(C)c3ccc(C)nn3)c2)s1.

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

The InChIKey is OXXUGGORGDKECE-KPMSDPLLSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15?,18-/m1/s1.

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

3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide is sourced from PubChem (CID 134328010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).