4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine

C23H28N4OS — CID 133180770

About 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine

4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine (PubChem CID 133180770) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine
• PubChem CID: 133180770
• Molecular Formula: C23H28N4OS
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.20
• IUPAC Name: 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine
• SMILES: CCC1CSC2=NC(c3ccccn3)C(c3ccc(N4CCOCC4)cc3C)N21
• InChI: InChI=1S/C23H28N4OS/c1-3-17-15-29-23-25-21(20-6-4-5-9-24-20)22(27(17)23)19-8-7-18(14-16(19)2)26-10-12-28-13-11-26/h4-9,14,17,21-22H,3,10-13,15H2,1-2H3
• InChIKey: DVGVASKTFSPAJY-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 40.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine?

The IUPAC name of 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine (CID 133180770) is 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine.

What is the SMILES notation for 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine?

The canonical SMILES for 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine is CCC1CSC2=NC(c3ccccn3)C(c3ccc(N4CCOCC4)cc3C)N21.

What is the InChIKey of 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine?

The InChIKey is DVGVASKTFSPAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-3-17-15-29-23-25-21(20-6-4-5-9-24-20)22(27(17)23)19-8-7-18(14-16(19)2)26-10-12-28-13-11-26/h4-9,14,17,21-22H,3,10-13,15H2,1-2H3.

What are the key properties of 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine?

4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine has a molecular weight of 408.57 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-3-methylphenyl]morpholine is sourced from PubChem (CID 133180770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).