6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C23H18F4N6OS — CID 25073587

About 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 25073587) has the molecular formula C23H18F4N6OS and a molecular weight of 502.50 g/mol. Its IUPAC name is 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
• PubChem CID: 25073587
• Molecular Formula: C23H18F4N6OS
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.12
• IUPAC Name: 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
• SMILES: Fc1cnc(-c2csc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)n2)nc1N1CCOCC1
• InChI: InChI=1S/C23H18F4N6OS/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)19-13-35-22(31-19)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2
• InChIKey: HGFQACAAEQBWQA-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The IUPAC name of 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 25073587) is 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

What is the SMILES notation for 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The canonical SMILES for 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1cnc(-c2csc(-c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)n2)nc1N1CCOCC1.

What is the InChIKey of 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The InChIKey is HGFQACAAEQBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6OS/c24-17-12-29-20(32-21(17)33-6-8-34-9-7-33)19-13-35-22(31-19)18-5-4-16(11-28-18)30-15-3-1-2-14(10-15)23(25,26)27/h1-5,10-13,30H,6-9H2.

What are the key properties of 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 502.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 25073587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).