3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

C20H19F3N4O3S2 — CID 172844316

About 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (PubChem CID 172844316) has the molecular formula C20H19F3N4O3S2 and a molecular weight of 484.53 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
• PubChem CID: 172844316
• Molecular Formula: C20H19F3N4O3S2
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.09
• IUPAC Name: 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cccc(C(=O)NC(C)c3nnc(C(F)(F)F)s3)c2O[C@@H]2CCOC2)s1
• InChI: InChI=1S/C20H19F3N4O3S2/c1-10-8-24-18(31-10)14-5-3-4-13(15(14)30-12-6-7-29-9-12)16(28)25-11(2)17-26-27-19(32-17)20(21,22)23/h3-5,8,11-12H,6-7,9H2,1-2H3,(H,25,28)/t11?,12-/m1/s1
• InChIKey: XFEKFGUIKHHMAZ-PIJUOVFKSA-N
• XLogP: 4.65
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?

The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (CID 172844316) is 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?

The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is Cc1cnc(-c2cccc(C(=O)NC(C)c3nnc(C(F)(F)F)s3)c2O[C@@H]2CCOC2)s1.

What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?

The InChIKey is XFEKFGUIKHHMAZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C20H19F3N4O3S2/c1-10-8-24-18(31-10)14-5-3-4-13(15(14)30-12-6-7-29-9-12)16(28)25-11(2)17-26-27-19(32-17)20(21,22)23/h3-5,8,11-12H,6-7,9H2,1-2H3,(H,25,28)/t11?,12-/m1/s1.

What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?

3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide has a molecular weight of 484.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxy-N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 172844316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).