[4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

C22H23F2N5O5S2 — CID 10324979

About [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

[4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 10324979) has the molecular formula C22H23F2N5O5S2 and a molecular weight of 539.59 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

• Compound Name: [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• PubChem CID: 10324979
• Molecular Formula: C22H23F2N5O5S2
• Molecular Weight: 539.59 g/mol
• Exact Mass: 539.11
• IUPAC Name: [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• SMILES: Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCO)nc3)CC2)sc1C(=O)c1c(F)cccc1F
• InChI: InChI=1S/C22H23F2N5O5S2/c23-15-2-1-3-16(24)18(15)19(31)20-21(25)28-22(35-20)27-13-6-8-29(9-7-13)36(32,33)14-4-5-17(26-12-14)34-11-10-30/h1-5,12-13,30H,6-11,25H2,(H,27,28)
• InChIKey: PLFJJMKWAWMQKJ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 147.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.59
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The IUPAC name of [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 10324979) is [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

What is the SMILES notation for [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The canonical SMILES for [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is Nc1nc(NC2CCN(S(=O)(=O)c3ccc(OCCO)nc3)CC2)sc1C(=O)c1c(F)cccc1F.

What is the InChIKey of [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The InChIKey is PLFJJMKWAWMQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O5S2/c23-15-2-1-3-16(24)18(15)19(31)20-21(25)28-22(35-20)27-13-6-8-29(9-7-13)36(32,33)14-4-5-17(26-12-14)34-11-10-30/h1-5,12-13,30H,6-11,25H2,(H,27,28).

What are the key properties of [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

[4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 539.59 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[[1-[[6-(2-hydroxyethoxy)-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 10324979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).