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

C8H5BrF3N3S — CID 171530476

IUPAC4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1nc(Br)cs1
InChIInChI=1S/C8H5BrF3N3S/c1-15-2-4(8(10,11)12)13-6(15)7-14-5(9)3-16-7/h2-3H,1H3
InChIKeyFWFMOKMXVMCHBA-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.32
Rot. Bonds1

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

4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 171530476) has the molecular formula C8H5BrF3N3S and a molecular weight of 312.11 g/mol. Its IUPAC name is 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID171530476
Molecular FormulaC8H5BrF3N3S
Molecular Weight312.11 g/mol
Exact Mass310.93
IUPAC Name4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCn1cc(C(F)(F)F)nc1-c1nc(Br)cs1
InChIInChI=1S/C8H5BrF3N3S/c1-15-2-4(8(10,11)12)13-6(15)7-14-5(9)3-16-7/h2-3H,1H3
InChIKeyFWFMOKMXVMCHBA-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

5-Bromo-6-methylimidazo(2,1-b)(1,3)thiazole
CID 700760
3-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole
CID 72183228
4-[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 22759831
2-[1-[(1-Ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 69991067
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
5-Methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 143754535
2-[4-(Trifluoromethyl)imidazol-1-yl]-1,3-thiazole
CID 149892223
4-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 171530514
5-Bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 172596761
5-bromo-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 172596788
2-Bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 172596823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 171530476) is 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is Cn1cc(C(F)(F)F)nc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is FWFMOKMXVMCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3S/c1-15-2-4(8(10,11)12)13-6(15)7-14-5(9)3-16-7/h2-3H,1H3.
What are the key properties of 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
4-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 4-bromo-2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 171530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).