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

C12H10F3N5O2S2 — CID 164729650

IUPAC3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
SMILESCCS(=O)(=O)c1nsnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C12H10F3N5O2S2/c1-3-24(21,22)11-9(18-23-19-11)10-17-6-4-8(12(13,14)15)16-5-7(6)20(10)2/h4-5H,3H2,1-2H3
InChIKeyFRWPNWUXKSNXBV-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.30
Rot. Bonds3

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

3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole (PubChem CID 164729650) has the molecular formula C12H10F3N5O2S2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
PubChem CID164729650
Molecular FormulaC12H10F3N5O2S2
Molecular Weight377.37 g/mol
Exact Mass377.02
IUPAC Name3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
SMILESCCS(=O)(=O)c1nsnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C12H10F3N5O2S2/c1-3-24(21,22)11-9(18-23-19-11)10-17-6-4-8(12(13,14)15)16-5-7(6)20(10)2/h4-5H,3H2,1-2H3
InChIKeyFRWPNWUXKSNXBV-UHFFFAOYSA-N
XLogP2.30
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole (CID 164729650) is 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole is CCS(=O)(=O)c1nsnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole?
The InChIKey is FRWPNWUXKSNXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2S2/c1-3-24(21,22)11-9(18-23-19-11)10-17-6-4-8(12(13,14)15)16-5-7(6)20(10)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole?
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole has a molecular weight of 377.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 164729650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).