2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

C13H9BrFN3S — CID 123701121

IUPAC2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1ccc(C2C=CNC(c3nccs3)=N2)c(Br)c1
InChIInChI=1S/C13H9BrFN3S/c14-10-7-8(15)1-2-9(10)11-3-4-16-12(18-11)13-17-5-6-19-13/h1-7,11H,(H,16,18)
InChIKeyFGZQNLWLVGNQIC-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.65
Rot. Bonds2

About 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole

2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (PubChem CID 123701121) has the molecular formula C13H9BrFN3S and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
PubChem CID123701121
Molecular FormulaC13H9BrFN3S
Molecular Weight338.21 g/mol
Exact Mass336.97
IUPAC Name2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1ccc(C2C=CNC(c3nccs3)=N2)c(Br)c1
InChIInChI=1S/C13H9BrFN3S/c14-10-7-8(15)1-2-9(10)11-3-4-16-12(18-11)13-17-5-6-19-13/h1-7,11H,(H,16,18)
InChIKeyFGZQNLWLVGNQIC-UHFFFAOYSA-N
XLogP3.65
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (CID 123701121) is 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is Fc1ccc(C2C=CNC(c3nccs3)=N2)c(Br)c1.
What is the InChIKey of 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The InChIKey is FGZQNLWLVGNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3S/c14-10-7-8(15)1-2-9(10)11-3-4-16-12(18-11)13-17-5-6-19-13/h1-7,11H,(H,16,18).
What are the key properties of 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole has a molecular weight of 338.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 123701121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).