3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

C22H18F3N5O2S2 — CID 146501329

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide

3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (PubChem CID 146501329) has the molecular formula C22H18F3N5O2S2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
• PubChem CID: 146501329
• Molecular Formula: C22H18F3N5O2S2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.09
• IUPAC Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
• SMILES: Cc1cnc(-c2cc(Oc3nnc(C)s3)cc(C(=O)NC(C)c3ccc(C(F)(F)F)nc3)c2)s1
• InChI: InChI=1S/C22H18F3N5O2S2/c1-11-9-27-20(33-11)16-6-15(7-17(8-16)32-21-30-29-13(3)34-21)19(31)28-12(2)14-4-5-18(26-10-14)22(23,24)25/h4-10,12H,1-3H3,(H,28,31)
• InChIKey: IWXLKQRNUPTLAV-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide (CID 146501329) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide.

What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is Cc1cnc(-c2cc(Oc3nnc(C)s3)cc(C(=O)NC(C)c3ccc(C(F)(F)F)nc3)c2)s1.

What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

The InChIKey is IWXLKQRNUPTLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S2/c1-11-9-27-20(33-11)16-6-15(7-17(8-16)32-21-30-29-13(3)34-21)19(31)28-12(2)14-4-5-18(26-10-14)22(23,24)25/h4-10,12H,1-3H3,(H,28,31).

What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide?

3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide has a molecular weight of 505.55 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 146501329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).