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

C8H5BrF3N3S — CID 172596823

IUPAC2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Br)s1
InChIInChI=1S/C8H5BrF3N3S/c1-15-3-5(8(10,11)12)14-6(15)4-2-13-7(9)16-4/h2-3H,1H3
InChIKeyZSDQNHUYWRECRV-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.32
Rot. Bonds1

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

2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 172596823) has the molecular formula C8H5BrF3N3S and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID172596823
Molecular FormulaC8H5BrF3N3S
Molecular Weight312.11 g/mol
Exact Mass310.93
IUPAC Name2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Br)s1
InChIInChI=1S/C8H5BrF3N3S/c1-15-3-5(8(10,11)12)14-6(15)4-2-13-7(9)16-4/h2-3H,1H3
InChIKeyZSDQNHUYWRECRV-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

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Related Compounds

N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
4-[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 22759831
5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 69921520
5-[5-(difluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 89878551
2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 90054393
2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide
CID 139358422
2-[4-(Trifluoromethyl)imidazol-1-yl]-1,3-thiazole
CID 149892223
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
2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 172596728
2-bromo-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole;ethane
CID 172596729
5-Bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 172596761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 172596823) is 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is Cn1cc(C(F)(F)F)nc1-c1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is ZSDQNHUYWRECRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3S/c1-15-3-5(8(10,11)12)14-6(15)4-2-13-7(9)16-4/h2-3H,1H3.
What are the key properties of 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
2-bromo-5-[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 2-bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 172596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).