4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide

C27H32N6O2S2 — CID 176963909

About 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide

4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide (PubChem CID 176963909) has the molecular formula C27H32N6O2S2 and a molecular weight of 536.73 g/mol. Its IUPAC name is 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide.

Molecular Properties

• Compound Name: 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide
• PubChem CID: 176963909
• Molecular Formula: C27H32N6O2S2
• Molecular Weight: 536.73 g/mol
• Exact Mass: 536.20
• IUPAC Name: 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide
• SMILES: Cc1ccnc(NC2CCCNC2)n1.Cc1nc(Oc2ccc(N3CCCS3=O)c3ccccc23)cs1
• InChI: InChI=1S/C17H16N2O2S2.C10H16N4/c1-12-18-17(11-22-12)21-16-8-7-15(19-9-4-10-23(19)20)13-5-2-3-6-14(13)16;1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h2-3,5-8,11H,4,9-10H2,1H3;4,6,9,11H,2-3,5,7H2,1H3,(H,12,13,14)
• InChIKey: YEQDURMXSNVAEL-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.73
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide?

The IUPAC name of 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide (CID 176963909) is 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide.

What is the SMILES notation for 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide?

The canonical SMILES for 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide is Cc1ccnc(NC2CCCNC2)n1.Cc1nc(Oc2ccc(N3CCCS3=O)c3ccccc23)cs1.

What is the InChIKey of 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide?

The InChIKey is YEQDURMXSNVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2.C10H16N4/c1-12-18-17(11-22-12)21-16-8-7-15(19-9-4-10-23(19)20)13-5-2-3-6-14(13)16;1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h2-3,5-8,11H,4,9-10H2,1H3;4,6,9,11H,2-3,5,7H2,1H3,(H,12,13,14).

What are the key properties of 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide?

4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide has a molecular weight of 536.73 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-piperidin-3-ylpyrimidin-2-amine;2-[4-[(2-methyl-1,3-thiazol-4-yl)oxy]naphthalen-1-yl]-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 176963909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).