1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol

C23H23FN4O2S2 — CID 144814339

About 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol

1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol (PubChem CID 144814339) has the molecular formula C23H23FN4O2S2 and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol
• PubChem CID: 144814339
• Molecular Formula: C23H23FN4O2S2
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.12
• IUPAC Name: 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol
• SMILES: Cc1ccc(OCCc2ccc(Nc3nc(-c4sc(C(C)O)nc4C)cs3)nc2)c(F)c1
• InChI: InChI=1S/C23H23FN4O2S2/c1-13-4-6-19(17(24)10-13)30-9-8-16-5-7-20(25-11-16)28-23-27-18(12-31-23)21-14(2)26-22(32-21)15(3)29/h4-7,10-12,15,29H,8-9H2,1-3H3,(H,25,27,28)
• InChIKey: HXYAKQZHTNZZJC-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 80.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol?

The IUPAC name of 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol (CID 144814339) is 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol.

What is the SMILES notation for 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol?

The canonical SMILES for 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol is Cc1ccc(OCCc2ccc(Nc3nc(-c4sc(C(C)O)nc4C)cs3)nc2)c(F)c1.

What is the InChIKey of 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol?

The InChIKey is HXYAKQZHTNZZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S2/c1-13-4-6-19(17(24)10-13)30-9-8-16-5-7-20(25-11-16)28-23-27-18(12-31-23)21-14(2)26-22(32-21)15(3)29/h4-7,10-12,15,29H,8-9H2,1-3H3,(H,25,27,28).

What are the key properties of 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol?

1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol has a molecular weight of 470.60 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 144814339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).