5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide

C5H4Br2F3NS — CID 67411337

IUPAC5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1nc(C(F)(F)F)c(Br)s1
InChIInChI=1S/C5H3BrF3NS.BrH/c1-2-10-3(4(6)11-2)5(7,8)9;/h1H3;1H
InChIKeyXDVFWFZYOJUBHM-UHFFFAOYSA-N
MW326.96 g/mol
LogP3.81
Rot. Bonds

About 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide

5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide (PubChem CID 67411337) has the molecular formula C5H4Br2F3NS and a molecular weight of 326.96 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide
PubChem CID67411337
Molecular FormulaC5H4Br2F3NS
Molecular Weight326.96 g/mol
Exact Mass324.84
IUPAC Name5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1nc(C(F)(F)F)c(Br)s1
InChIInChI=1S/C5H3BrF3NS.BrH/c1-2-10-3(4(6)11-2)5(7,8)9;/h1H3;1H
InChIKeyXDVFWFZYOJUBHM-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.96
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide (CID 67411337) is 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide is Br.Cc1nc(C(F)(F)F)c(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide?
The InChIKey is XDVFWFZYOJUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NS.BrH/c1-2-10-3(4(6)11-2)5(7,8)9;/h1H3;1H.
What are the key properties of 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide?
5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide has a molecular weight of 326.96 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(trifluoromethyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 67411337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).