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

C13H9ClFN3S — CID 123798470

IUPAC2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1cc(Cl)ccc1C1C=CNC(c2nccs2)=N1
InChIInChI=1S/C13H9ClFN3S/c14-8-1-2-9(10(15)7-8)11-3-4-16-12(18-11)13-17-5-6-19-13/h1-7,11H,(H,16,18)
InChIKeyCZNHYZJRMLOESS-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.54
Rot. Bonds2

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

2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (PubChem CID 123798470) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
PubChem CID123798470
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole
SMILESFc1cc(Cl)ccc1C1C=CNC(c2nccs2)=N1
InChIInChI=1S/C13H9ClFN3S/c14-8-1-2-9(10(15)7-8)11-3-4-16-12(18-11)13-17-5-6-19-13/h1-7,11H,(H,16,18)
InChIKeyCZNHYZJRMLOESS-UHFFFAOYSA-N
XLogP3.54
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole (CID 123798470) is 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is Fc1cc(Cl)ccc1C1C=CNC(c2nccs2)=N1.
What is the InChIKey of 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
The InChIKey is CZNHYZJRMLOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-8-1-2-9(10(15)7-8)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-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole?
2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole has a molecular weight of 293.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-fluorophenyl)-1,4-dihydropyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 123798470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).