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

C17H12F6N6O2S2 — CID 122646789

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

4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 122646789) has the molecular formula C17H12F6N6O2S2 and a molecular weight of 510.45 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
• PubChem CID: 122646789
• Molecular Formula: C17H12F6N6O2S2
• Molecular Weight: 510.45 g/mol
• Exact Mass: 510.04
• IUPAC Name: 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
• SMILES: CCS(=O)(=O)c1nc(-n2ccc(C(F)(F)F)n2)sc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C17H12F6N6O2S2/c1-3-33(30,31)14-12(32-15(26-14)29-5-4-10(27-29)16(18,19)20)13-25-8-6-11(17(21,22)23)24-7-9(8)28(13)2/h4-7H,3H2,1-2H3
• InChIKey: VETYQJCTWXVPTG-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 95.56 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.45
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 122646789) is 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

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

The canonical SMILES for 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is CCS(=O)(=O)c1nc(-n2ccc(C(F)(F)F)n2)sc1-c1nc2cc(C(F)(F)F)ncc2n1C.

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

The InChIKey is VETYQJCTWXVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N6O2S2/c1-3-33(30,31)14-12(32-15(26-14)29-5-4-10(27-29)16(18,19)20)13-25-8-6-11(17(21,22)23)24-7-9(8)28(13)2/h4-7H,3H2,1-2H3.

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

4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 510.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 122646789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).