2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C8H7F3N4S — CID 114450432

IUPAC2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nccn1-c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F3N4S/c1-2-5-12-3-4-15(5)7-14-13-6(16-7)8(9,10)11/h3-4H,2H2,1H3
InChIKeyQRAVIDFWBKSDHA-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 114450432) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID114450432
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCc1nccn1-c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F3N4S/c1-2-5-12-3-4-15(5)7-14-13-6(16-7)8(9,10)11/h3-4H,2H2,1H3
InChIKeyQRAVIDFWBKSDHA-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 131895874
2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 118768197
2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole
CID 64624753
2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole
CID 63811039
4-(2-ethylimidazol-1-yl)-3-(trifluoromethyl)aniline
CID 61402459
5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306319
2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877706
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 63812006
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133492053
3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
CID 65277600
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 114450432) is 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is CCc1nccn1-c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is QRAVIDFWBKSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-2-5-12-3-4-15(5)7-14-13-6(16-7)8(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 248.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 114450432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).