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

C24H27ClF2N6O4S2 — CID 86597930

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

[4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride (PubChem CID 86597930) has the molecular formula C24H27ClF2N6O4S2 and a molecular weight of 601.10 g/mol. Its IUPAC name is [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride
• PubChem CID: 86597930
• Molecular Formula: C24H27ClF2N6O4S2
• Molecular Weight: 601.10 g/mol
• Exact Mass: 600.12
• IUPAC Name: [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride
• SMILES: Cl.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F
• InChI: InChI=1S/C24H26F2N6O4S2.ClH/c25-17-2-1-3-18(26)20(17)21(33)22-23(27)30-24(37-22)29-15-6-8-32(9-7-15)38(34,35)16-4-5-19(28-14-16)31-10-12-36-13-11-31;/h1-5,14-15H,6-13,27H2,(H,29,30);1H
• InChIKey: JNLOMWPTJDGSFW-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 130.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.10
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride (CID 86597930) is [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride.

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

The canonical SMILES for [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride is Cl.Nc1nc(NC2CCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)CC2)sc1C(=O)c1c(F)cccc1F.

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

The InChIKey is JNLOMWPTJDGSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O4S2.ClH/c25-17-2-1-3-18(26)20(17)21(33)22-23(27)30-24(37-22)29-15-6-8-32(9-7-15)38(34,35)16-4-5-19(28-14-16)31-10-12-36-13-11-31;/h1-5,14-15H,6-13,27H2,(H,29,30);1H.

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

[4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride has a molecular weight of 601.10 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 86597930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).