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

C23H22ClN5OS — CID 52948737

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

5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52948737) has the molecular formula C23H22ClN5OS and a molecular weight of 451.98 g/mol. Its IUPAC name is 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• PubChem CID: 52948737
• Molecular Formula: C23H22ClN5OS
• Molecular Weight: 451.98 g/mol
• Exact Mass: 451.12
• IUPAC Name: 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• SMILES: CCCNc1ncc(-c2cc(-c3ccc(OCC)cc3Cl)nc(-c3ccccn3)n2)s1
• InChI: InChI=1S/C23H22ClN5OS/c1-3-10-26-23-27-14-21(31-23)20-13-19(16-9-8-15(30-4-2)12-17(16)24)28-22(29-20)18-7-5-6-11-25-18/h5-9,11-14H,3-4,10H2,1-2H3,(H,26,27)
• InChIKey: NGXKEJZXKUOJCM-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.98
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52948737) is 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

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

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

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

The InChIKey is NGXKEJZXKUOJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5OS/c1-3-10-26-23-27-14-21(31-23)20-13-19(16-9-8-15(30-4-2)12-17(16)24)28-22(29-20)18-7-5-6-11-25-18/h5-9,11-14H,3-4,10H2,1-2H3,(H,26,27).

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

5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 451.98 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).