5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

C8H5BrF3N3S — CID 172596761

IUPAC5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1ncc(Br)s1
InChIInChI=1S/C8H5BrF3N3S/c1-15-3-4(8(10,11)12)14-6(15)7-13-2-5(9)16-7/h2-3H,1H3
InChIKeyZVJYBATUFDTTKK-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.32
Rot. Bonds1

About 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 172596761) has the molecular formula C8H5BrF3N3S and a molecular weight of 312.11 g/mol. Its IUPAC name is 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID172596761
Molecular FormulaC8H5BrF3N3S
Molecular Weight312.11 g/mol
Exact Mass310.93
IUPAC Name5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1ncc(Br)s1
InChIInChI=1S/C8H5BrF3N3S/c1-15-3-4(8(10,11)12)14-6(15)7-13-2-5(9)16-7/h2-3H,1H3
InChIKeyZVJYBATUFDTTKK-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 172596761) is 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is Cn1cc(C(F)(F)F)nc1-c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is ZVJYBATUFDTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3S/c1-15-3-4(8(10,11)12)14-6(15)7-13-2-5(9)16-7/h2-3H,1H3.
What are the key properties of 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 312.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 172596761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).