5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C24H30N4S — CID 133180760

About 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180760) has the molecular formula C24H30N4S and a molecular weight of 406.60 g/mol. Its IUPAC name is 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• PubChem CID: 133180760
• Molecular Formula: C24H30N4S
• Molecular Weight: 406.60 g/mol
• Exact Mass: 406.22
• IUPAC Name: 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• SMILES: CCC1CSC2=NC(c3ccccn3)C(c3cc(C)c(N4CCCC4)cc3C)N21
• InChI: InChI=1S/C24H30N4S/c1-4-18-15-29-24-26-22(20-9-5-6-10-25-20)23(28(18)24)19-13-17(3)21(14-16(19)2)27-11-7-8-12-27/h5-6,9-10,13-14,18,22-23H,4,7-8,11-12,15H2,1-3H3
• InChIKey: QOEFDZRLXYXSLJ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 31.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.60
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180760) is 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CCC1CSC2=NC(c3ccccn3)C(c3cc(C)c(N4CCCC4)cc3C)N21.

What is the InChIKey of 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The InChIKey is QOEFDZRLXYXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4S/c1-4-18-15-29-24-26-22(20-9-5-6-10-25-20)23(28(18)24)19-13-17(3)21(14-16(19)2)27-11-7-8-12-27/h5-6,9-10,13-14,18,22-23H,4,7-8,11-12,15H2,1-3H3.

What are the key properties of 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 406.60 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-3-ethyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).