5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C5H3BrF3NS — CID 137347275

IUPAC5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1ncc(Br)s1
InChIInChI=1S/C5H3BrF3NS/c6-3-2-10-4(11-3)1-5(7,8)9/h2H,1H2
InChIKeyMHGXMNCMUMKDAU-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.01
Rot. Bonds1

About 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole

5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 137347275) has the molecular formula C5H3BrF3NS and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID137347275
Molecular FormulaC5H3BrF3NS
Molecular Weight246.05 g/mol
Exact Mass244.91
IUPAC Name5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1ncc(Br)s1
InChIInChI=1S/C5H3BrF3NS/c6-3-2-10-4(11-3)1-5(7,8)9/h2H,1H2
InChIKeyMHGXMNCMUMKDAU-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 137347275) is 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is MHGXMNCMUMKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NS/c6-3-2-10-4(11-3)1-5(7,8)9/h2H,1H2.
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 246.05 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 137347275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).