N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide

C23H27FN4O3S2 — CID 145359442

About N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide

N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide (PubChem CID 145359442) has the molecular formula C23H27FN4O3S2 and a molecular weight of 490.63 g/mol. Its IUPAC name is N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
• PubChem CID: 145359442
• Molecular Formula: C23H27FN4O3S2
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.15
• IUPAC Name: N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide
• SMILES: COc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)Nc1cnccc1F
• InChI: InChI=1S/C23H27FN4O3S2/c1-14(16-7-10-31-11-8-16)26-23-27-15(2)22(32-23)17-4-5-20(30-3)21(12-17)33(29)28-19-13-25-9-6-18(19)24/h4-6,9,12-14,16,28H,7-8,10-11H2,1-3H3,(H,26,27)
• InChIKey: JUGJNCCDDNRNJT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide?

The IUPAC name of N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide (CID 145359442) is N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide.

What is the SMILES notation for N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide?

The canonical SMILES for N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide is COc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)Nc1cnccc1F.

What is the InChIKey of N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide?

The InChIKey is JUGJNCCDDNRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S2/c1-14(16-7-10-31-11-8-16)26-23-27-15(2)22(32-23)17-4-5-20(30-3)21(12-17)33(29)28-19-13-25-9-6-18(19)24/h4-6,9,12-14,16,28H,7-8,10-11H2,1-3H3,(H,26,27).

What are the key properties of N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide?

N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide has a molecular weight of 490.63 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfinamide is sourced from PubChem (CID 145359442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).