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

C9H9F3N4S — CID 107306319

IUPAC5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCCc1nccn1-c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H9F3N4S/c1-2-3-6-13-4-5-16(6)8-14-7(15-17-8)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyRMFXCHRRCKHKRY-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.70
Rot. Bonds3

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

5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107306319) has the molecular formula C9H9F3N4S and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107306319
Molecular FormulaC9H9F3N4S
Molecular Weight262.26 g/mol
Exact Mass262.05
IUPAC Name5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCCc1nccn1-c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H9F3N4S/c1-2-3-6-13-4-5-16(6)8-14-7(15-17-8)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyRMFXCHRRCKHKRY-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
N'-hydroxy-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]imidazole-2-carboximidamide
CID 136802092
2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole
CID 64624753
3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
CID 65277600
2-propyl-1-(trifluoromethyl)imidazole
CID 142926111
[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869330
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450432
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
3-(2-propylimidazol-1-yl)quinoline
CID 50972942
5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
CID 114011755
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107306319) is 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CCCc1nccn1-c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is RMFXCHRRCKHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S/c1-2-3-6-13-4-5-16(6)8-14-7(15-17-8)9(10,11)12/h4-5H,2-3H2,1H3.
What are the key properties of 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 262.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107306319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).