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

C7H3BrF3N3S — CID 172596788

IUPAC5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2ncc(Br)s2)[nH]1
InChIInChI=1S/C7H3BrF3N3S/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14)
InChIKeyPEPBIAQSGPGDIM-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.31
Rot. Bonds1

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

5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 172596788) has the molecular formula C7H3BrF3N3S and a molecular weight of 298.09 g/mol. Its IUPAC name is 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID172596788
Molecular FormulaC7H3BrF3N3S
Molecular Weight298.09 g/mol
Exact Mass296.92
IUPAC Name5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2ncc(Br)s2)[nH]1
InChIInChI=1S/C7H3BrF3N3S/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14)
InChIKeyPEPBIAQSGPGDIM-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 118785908
2-(4-trifluoromethyl-1H-imidazol-2-yl)-thiazole
CID 10798896
5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 69921520
2-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878550
5-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878551
2-Bromo-6-(trifluoromethyl)imidazo[2,1-b]thiazole
CID 131526767
4-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 140993688
2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 140993694
[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazol-5-yl]methanol
CID 169086364
2-chloro-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 170633037
4-Bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 171530476
4-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 171530514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 172596788) is 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is FC(F)(F)c1cnc(-c2ncc(Br)s2)[nH]1.
What is the InChIKey of 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is PEPBIAQSGPGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3S/c8-4-2-13-6(15-4)5-12-1-3(14-5)7(9,10)11/h1-2H,(H,12,14).
What are the key properties of 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 298.09 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 172596788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).