5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H25FN4S — CID 133180511

About 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180511) has the molecular formula C22H25FN4S and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• PubChem CID: 133180511
• Molecular Formula: C22H25FN4S
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.18
• IUPAC Name: 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• SMILES: CC1CN2C(=NC(c3ccccn3)C2c2ccc(N3CCCCC3)c(F)c2)S1
• InChI: InChI=1S/C22H25FN4S/c1-15-14-27-21(20(25-22(27)28-15)18-7-3-4-10-24-18)16-8-9-19(17(23)13-16)26-11-5-2-6-12-26/h3-4,7-10,13,15,20-21H,2,5-6,11-12,14H2,1H3
• InChIKey: KLPIOOAPLGQPGF-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 31.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	4.80
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-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180511) is 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

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

The canonical SMILES for 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is CC1CN2C(=NC(c3ccccn3)C2c2ccc(N3CCCCC3)c(F)c2)S1.

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

The InChIKey is KLPIOOAPLGQPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4S/c1-15-14-27-21(20(25-22(27)28-15)18-7-3-4-10-24-18)16-8-9-19(17(23)13-16)26-11-5-2-6-12-26/h3-4,7-10,13,15,20-21H,2,5-6,11-12,14H2,1H3.

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

5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 396.54 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-4-piperidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).