5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole

C18H17F3N6O2S2 — CID 135235226

About 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole

5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole (PubChem CID 135235226) has the molecular formula C18H17F3N6O2S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole
• PubChem CID: 135235226
• Molecular Formula: C18H17F3N6O2S2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.08
• IUPAC Name: 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole
• SMILES: CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2cnc(C)s2)n1C
• InChI: InChI=1S/C18H17F3N6O2S2/c1-5-31(28,29)17-14(25-15(27(17)4)12-8-22-9(2)30-12)16-24-10-6-13(18(19,20)21)23-7-11(10)26(16)3/h6-8H,5H2,1-4H3
• InChIKey: IOXQLKHOWCMWGG-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 95.56 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole?

The IUPAC name of 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole (CID 135235226) is 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole.

What is the SMILES notation for 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole?

The canonical SMILES for 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2cnc(C)s2)n1C.

What is the InChIKey of 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole?

The InChIKey is IOXQLKHOWCMWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2S2/c1-5-31(28,29)17-14(25-15(27(17)4)12-8-22-9(2)30-12)16-24-10-6-13(18(19,20)21)23-7-11(10)26(16)3/h6-8H,5H2,1-4H3.

What are the key properties of 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole?

5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 470.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 135235226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).