[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C5H3BrF3NOS — CID 71721439

IUPAC[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Br)nc1C(F)(F)F
InChIInChI=1S/C5H3BrF3NOS/c6-4-10-3(5(7,8)9)2(1-11)12-4/h11H,1H2
InChIKeyXPLFKUSLUCCGEX-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.42
Rot. Bonds1

About [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 71721439) has the molecular formula C5H3BrF3NOS and a molecular weight of 262.05 g/mol. Its IUPAC name is [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID71721439
Molecular FormulaC5H3BrF3NOS
Molecular Weight262.05 g/mol
Exact Mass260.91
IUPAC Name[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Br)nc1C(F)(F)F
InChIInChI=1S/C5H3BrF3NOS/c6-4-10-3(5(7,8)9)2(1-11)12-4/h11H,1H2
InChIKeyXPLFKUSLUCCGEX-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 71721439) is [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OCc1sc(Br)nc1C(F)(F)F.
What is the InChIKey of [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is XPLFKUSLUCCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF3NOS/c6-4-10-3(5(7,8)9)2(1-11)12-4/h11H,1H2.
What are the key properties of [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 262.05 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71721439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).