2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole

C9H7BrFN3S — CID 164659955

IUPAC2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(C)c(Br)c(F)n2)n1
InChIInChI=1S/C9H7BrFN3S/c1-4-3-15-9(12-4)8-13-5(2)6(10)7(11)14-8/h3H,1-2H3
InChIKeyIRDBOMXIRBJYIU-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.12
Rot. Bonds1

About 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole

2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole (PubChem CID 164659955) has the molecular formula C9H7BrFN3S and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole
PubChem CID164659955
Molecular FormulaC9H7BrFN3S
Molecular Weight288.15 g/mol
Exact Mass286.95
IUPAC Name2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(C)c(Br)c(F)n2)n1
InChIInChI=1S/C9H7BrFN3S/c1-4-3-15-9(12-4)8-13-5(2)6(10)7(11)14-8/h3H,1-2H3
InChIKeyIRDBOMXIRBJYIU-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole (CID 164659955) is 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2nc(C)c(Br)c(F)n2)n1.
What is the InChIKey of 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is IRDBOMXIRBJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3S/c1-4-3-15-9(12-4)8-13-5(2)6(10)7(11)14-8/h3H,1-2H3.
What are the key properties of 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole?
2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 288.15 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-6-methylpyrimidin-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 164659955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).