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

C12H9BrF3NOS — CID 66939553

IUPAC[2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2cc(Br)cc(C(F)(F)F)c2)nc1CO
InChIInChI=1S/C12H9BrF3NOS/c1-6-10(5-18)17-11(19-6)7-2-8(12(14,15)16)4-9(13)3-7/h2-4,18H,5H2,1H3
InChIKeyQOHGENUJGJVXEA-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.39
Rot. Bonds2

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

[2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol (PubChem CID 66939553) has the molecular formula C12H9BrF3NOS and a molecular weight of 352.18 g/mol. Its IUPAC name is [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol
PubChem CID66939553
Molecular FormulaC12H9BrF3NOS
Molecular Weight352.18 g/mol
Exact Mass350.95
IUPAC Name[2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol
SMILESCc1sc(-c2cc(Br)cc(C(F)(F)F)c2)nc1CO
InChIInChI=1S/C12H9BrF3NOS/c1-6-10(5-18)17-11(19-6)7-2-8(12(14,15)16)4-9(13)3-7/h2-4,18H,5H2,1H3
InChIKeyQOHGENUJGJVXEA-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol (CID 66939553) is [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol is Cc1sc(-c2cc(Br)cc(C(F)(F)F)c2)nc1CO.
What is the InChIKey of [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol?
The InChIKey is QOHGENUJGJVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NOS/c1-6-10(5-18)17-11(19-6)7-2-8(12(14,15)16)4-9(13)3-7/h2-4,18H,5H2,1H3.
What are the key properties of [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol?
[2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol has a molecular weight of 352.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-bromo-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 66939553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).