4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile

C19H26N6O2S2 — CID 167193639

About 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile

4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile (PubChem CID 167193639) has the molecular formula C19H26N6O2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile
• PubChem CID: 167193639
• Molecular Formula: C19H26N6O2S2
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.16
• IUPAC Name: 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile
• SMILES: Cc1nc(CN(C)C)sc1-c1cc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N
• InChI: InChI=1S/C19H26N6O2S2/c1-13-19(28-18(22-13)12-24(2)3)16-9-17(21-11-14(16)10-20)23-15-5-7-25(8-6-15)29(4,26)27/h9,11,15H,5-8,12H2,1-4H3,(H,21,23)
• InChIKey: ORHQKNZYKPJWNM-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 102.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile?

The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile (CID 167193639) is 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile?

The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile is Cc1nc(CN(C)C)sc1-c1cc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N.

What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile?

The InChIKey is ORHQKNZYKPJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S2/c1-13-19(28-18(22-13)12-24(2)3)16-9-17(21-11-14(16)10-20)23-15-5-7-25(8-6-15)29(4,26)27/h9,11,15H,5-8,12H2,1-4H3,(H,21,23).

What are the key properties of 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile?

4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile has a molecular weight of 434.59 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 167193639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).