[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C21H28N6O2S — CID 26384845

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 26384845) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

• Compound Name: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
• PubChem CID: 26384845
• Molecular Formula: C21H28N6O2S
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.20
• IUPAC Name: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
• SMILES: Cc1cc(C)nc(CCNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)n1
• InChI: InChI=1S/C21H28N6O2S/c1-13-9-14(2)24-18(23-13)5-6-22-10-17-19(25-21-27(17)7-8-30-21)20(28)26-11-15(3)29-16(4)12-26/h7-9,15-16,22H,5-6,10-12H2,1-4H3/t15-,16+
• InChIKey: GWSYZAPBAMZMQS-IYBDPMFKSA-N
• XLogP: 2.38
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?

The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 26384845) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?

The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1cc(C)nc(CCNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)n1.

What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?

The InChIKey is GWSYZAPBAMZMQS-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-13-9-14(2)24-18(23-13)5-6-22-10-17-19(25-21-27(17)7-8-30-21)20(28)26-11-15(3)29-16(4)12-26/h7-9,15-16,22H,5-6,10-12H2,1-4H3/t15-,16+.

What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 428.56 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 26384845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).