4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

C9H8F3N3S — CID 22759831

IUPAC4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCCn1cc(C(F)(F)F)nc1-c1cscn1
InChIInChI=1S/C9H8F3N3S/c1-2-15-3-7(9(10,11)12)14-8(15)6-4-16-5-13-6/h3-5H,2H2,1H3
InChIKeyRYRDLQLJVNGJJP-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.05
Rot. Bonds2

About 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 22759831) has the molecular formula C9H8F3N3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID22759831
Molecular FormulaC9H8F3N3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCCn1cc(C(F)(F)F)nc1-c1cscn1
InChIInChI=1S/C9H8F3N3S/c1-2-15-3-7(9(10,11)12)14-8(15)6-4-16-5-13-6/h3-5H,2H2,1H3
InChIKeyRYRDLQLJVNGJJP-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 22759831) is 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is CCn1cc(C(F)(F)F)nc1-c1cscn1.
What is the InChIKey of 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is RYRDLQLJVNGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-2-15-3-7(9(10,11)12)14-8(15)6-4-16-5-13-6/h3-5H,2H2,1H3.
What are the key properties of 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 247.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 22759831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).