2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane

C9H9BrF3N3S — CID 172596729

IUPAC2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane
SMILESCC.FC(F)(F)c1cnc(-c2cnc(Br)s2)[nH]1
InChIInChI=1S/C7H3BrF3N3S.C2H6/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11;1-2/h1-2H,(H,12,14);1-2H3
InChIKeyLORGLXOFWLTCFF-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.34
Rot. Bonds1

About 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane

2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane (PubChem CID 172596729) has the molecular formula C9H9BrF3N3S and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane
PubChem CID172596729
Molecular FormulaC9H9BrF3N3S
Molecular Weight328.16 g/mol
Exact Mass326.97
IUPAC Name2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane
SMILESCC.FC(F)(F)c1cnc(-c2cnc(Br)s2)[nH]1
InChIInChI=1S/C7H3BrF3N3S.C2H6/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11;1-2/h1-2H,(H,12,14);1-2H3
InChIKeyLORGLXOFWLTCFF-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane?
The IUPAC name of 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane (CID 172596729) is 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane.
What is the SMILES notation for 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane?
The canonical SMILES for 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane is CC.FC(F)(F)c1cnc(-c2cnc(Br)s2)[nH]1.
What is the InChIKey of 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane?
The InChIKey is LORGLXOFWLTCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3S.C2H6/c8-6-13-1-3(15-6)5-12-2-4(14-5)7(9,10)11;1-2/h1-2H,(H,12,14);1-2H3.
What are the key properties of 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane?
2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane has a molecular weight of 328.16 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane is sourced from PubChem (CID 172596729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).