5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C21H17ClFN5S — CID 52941393

About 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52941393) has the molecular formula C21H17ClFN5S and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• PubChem CID: 52941393
• Molecular Formula: C21H17ClFN5S
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.09
• IUPAC Name: 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• SMILES: CCCNc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(-c3ccccn3)n2)s1
• InChI: InChI=1S/C21H17ClFN5S/c1-2-8-25-21-26-12-19(29-21)18-11-17(14-7-6-13(23)10-15(14)22)27-20(28-18)16-5-3-4-9-24-16/h3-7,9-12H,2,8H2,1H3,(H,25,26)
• InChIKey: JSEFKQYKLXCXBQ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The IUPAC name of 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52941393) is 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The canonical SMILES for 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(-c3ccccn3)n2)s1.

What is the InChIKey of 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The InChIKey is JSEFKQYKLXCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5S/c1-2-8-25-21-26-12-19(29-21)18-11-17(14-7-6-13(23)10-15(14)22)27-20(28-18)16-5-3-4-9-24-16/h3-7,9-12H,2,8H2,1H3,(H,25,26).

What are the key properties of 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 425.92 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52941393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).