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

C20H28N6O2S — CID 28732891

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 28732891) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
• PubChem CID: 28732891
• Molecular Formula: C20H28N6O2S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.20
• IUPAC Name: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
• SMILES: Cc1n[nH]c(C)c1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12
• InChI: InChI=1S/C20H28N6O2S/c1-12-10-25(11-13(2)28-12)19(27)18-17(26-7-8-29-20(26)22-18)9-21-6-5-16-14(3)23-24-15(16)4/h7-8,12-13,21H,5-6,9-11H2,1-4H3,(H,23,24)/t12-,13+
• InChIKey: UOMACKTYAGQUTI-BETUJISGSA-N
• XLogP: 2.32
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 28732891) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1n[nH]c(C)c1CCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12.

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

The InChIKey is UOMACKTYAGQUTI-BETUJISGSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-12-10-25(11-13(2)28-12)19(27)18-17(26-7-8-29-20(26)22-18)9-21-6-5-16-14(3)23-24-15(16)4/h7-8,12-13,21H,5-6,9-11H2,1-4H3,(H,23,24)/t12-,13+.

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 416.55 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 28732891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).