2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

C12H11BrFNOS — CID 81496317

IUPAC2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2cc(F)ccc2Br)sc1C
InChIInChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(14)3-4-10(11)13/h3-5H,6H2,1-2H3
InChIKeyQRWRHDUTKGERPY-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.24
Rot. Bonds3

About 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole

2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 81496317) has the molecular formula C12H11BrFNOS and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID81496317
Molecular FormulaC12H11BrFNOS
Molecular Weight316.19 g/mol
Exact Mass314.97
IUPAC Name2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(COc2cc(F)ccc2Br)sc1C
InChIInChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(14)3-4-10(11)13/h3-5H,6H2,1-2H3
InChIKeyQRWRHDUTKGERPY-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole (CID 81496317) is 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(COc2cc(F)ccc2Br)sc1C.
What is the InChIKey of 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is QRWRHDUTKGERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-7-8(2)17-12(15-7)6-16-11-5-9(14)3-4-10(11)13/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole?
2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 316.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 81496317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).