6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

C14H12F3N3O2S2 — CID 118181858

IUPAC6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCS(=O)(=O)c1ccccc1-c1nc2sc(C(F)(F)F)nn2c1C
InChIInChI=1S/C14H12F3N3O2S2/c1-3-24(21,22)10-7-5-4-6-9(10)11-8(2)20-13(18-11)23-12(19-20)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyITTYXQWAQJMCMO-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.58
Rot. Bonds3

About 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 118181858) has the molecular formula C14H12F3N3O2S2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID118181858
Molecular FormulaC14H12F3N3O2S2
Molecular Weight375.40 g/mol
Exact Mass375.03
IUPAC Name6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCS(=O)(=O)c1ccccc1-c1nc2sc(C(F)(F)F)nn2c1C
InChIInChI=1S/C14H12F3N3O2S2/c1-3-24(21,22)10-7-5-4-6-9(10)11-8(2)20-13(18-11)23-12(19-20)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyITTYXQWAQJMCMO-UHFFFAOYSA-N
XLogP3.58
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 118181858) is 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is CCS(=O)(=O)c1ccccc1-c1nc2sc(C(F)(F)F)nn2c1C.
What is the InChIKey of 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ITTYXQWAQJMCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S2/c1-3-24(21,22)10-7-5-4-6-9(10)11-8(2)20-13(18-11)23-12(19-20)14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 375.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylsulfonylphenyl)-5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118181858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).