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

C11H7BrF3NOS — CID 71413160

IUPAC[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(-c2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H7BrF3NOS/c12-9-8(5-17)18-10(16-9)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyAIMDBBUWIRTQPW-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.08
Rot. Bonds2

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

[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 71413160) has the molecular formula C11H7BrF3NOS and a molecular weight of 338.15 g/mol. Its IUPAC name is [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID71413160
Molecular FormulaC11H7BrF3NOS
Molecular Weight338.15 g/mol
Exact Mass336.94
IUPAC Name[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(-c2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H7BrF3NOS/c12-9-8(5-17)18-10(16-9)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyAIMDBBUWIRTQPW-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 71413160) is [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1Br.
What is the InChIKey of [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is AIMDBBUWIRTQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NOS/c12-9-8(5-17)18-10(16-9)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2.
What are the key properties of [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 338.15 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 71413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).