3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide

C23H23F3N4O3S — CID 146501372

About 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide (PubChem CID 146501372) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
• PubChem CID: 146501372
• Molecular Formula: C23H23F3N4O3S
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.14
• IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(OC[C@H]3CCOC3)cc(C(=O)NC(C)c3ccc(C(F)(F)F)nn3)c2)s1
• InChI: InChI=1S/C23H23F3N4O3S/c1-13-10-27-22(34-13)17-7-16(8-18(9-17)33-12-15-5-6-32-11-15)21(31)28-14(2)19-3-4-20(30-29-19)23(24,25)26/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H,28,31)/t14?,15-/m0/s1
• InChIKey: BICIIZABCQYPPY-LOACHALJSA-N
• XLogP: 4.83
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide (CID 146501372) is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide.

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

The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide is Cc1cnc(-c2cc(OC[C@H]3CCOC3)cc(C(=O)NC(C)c3ccc(C(F)(F)F)nn3)c2)s1.

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

The InChIKey is BICIIZABCQYPPY-LOACHALJSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-13-10-27-22(34-13)17-7-16(8-18(9-17)33-12-15-5-6-32-11-15)21(31)28-14(2)19-3-4-20(30-29-19)23(24,25)26/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H,28,31)/t14?,15-/m0/s1.

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

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide has a molecular weight of 492.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]methoxy]-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide is sourced from PubChem (CID 146501372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).