[(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C23H22IN5OS — CID 67284106

About [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 67284106) has the molecular formula C23H22IN5OS and a molecular weight of 543.43 g/mol. Its IUPAC name is [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 67284106
• Molecular Formula: C23H22IN5OS
• Molecular Weight: 543.43 g/mol
• Exact Mass: 543.06
• IUPAC Name: [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3ccncn3c2I)c(-c2ccccc2)s1
• InChI: InChI=1S/C23H22IN5OS/c1-15-26-20(21(31-15)16-7-3-2-4-8-16)23(30)28-12-6-5-9-17(28)13-18-22(24)29-14-25-11-10-19(29)27-18/h2-4,7-8,10-11,14,17H,5-6,9,12-13H2,1H3/t17-/m0/s1
• InChIKey: CPQDWHIPIZAEOM-KRWDZBQOSA-N
• XLogP: 5.00
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.43
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 67284106) is [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2nc3ccncn3c2I)c(-c2ccccc2)s1.

What is the InChIKey of [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The InChIKey is CPQDWHIPIZAEOM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22IN5OS/c1-15-26-20(21(31-15)16-7-3-2-4-8-16)23(30)28-12-6-5-9-17(28)13-18-22(24)29-14-25-11-10-19(29)27-18/h2-4,7-8,10-11,14,17H,5-6,9,12-13H2,1H3/t17-/m0/s1.

What are the key properties of [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

[(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 543.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67284106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).