[(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H26BrN5OS — CID 173060361

About [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 173060361) has the molecular formula C24H26BrN5OS and a molecular weight of 512.48 g/mol. Its IUPAC name is [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 173060361
• Molecular Formula: C24H26BrN5OS
• Molecular Weight: 512.48 g/mol
• Exact Mass: 511.10
• IUPAC Name: [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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]2Cc2cn3c(n2)C=CN(Br)C3C)c(-c2ccccc2)s1
• InChI: InChI=1S/C24H26BrN5OS/c1-16-26-22(23(32-16)18-8-4-3-5-9-18)24(31)28-12-7-6-10-20(28)14-19-15-29-17(2)30(25)13-11-21(29)27-19/h3-5,8-9,11,13,15,17,20H,6-7,10,12,14H2,1-2H3/t17?,20-/m0/s1
• InChIKey: OIEFEDCTZDDTPZ-OZBJMMHXSA-N
• XLogP: 5.67
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.48
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 173060361) is [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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-[(6-bromo-5-methyl-5H-imidazo[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-[(6-bromo-5-methyl-5H-imidazo[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]2Cc2cn3c(n2)C=CN(Br)C3C)c(-c2ccccc2)s1.

What is the InChIKey of [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

The InChIKey is OIEFEDCTZDDTPZ-OZBJMMHXSA-N. The full InChI is InChI=1S/C24H26BrN5OS/c1-16-26-22(23(32-16)18-8-4-3-5-9-18)24(31)28-12-7-6-10-20(28)14-19-15-29-17(2)30(25)13-11-21(29)27-19/h3-5,8-9,11,13,15,17,20H,6-7,10,12,14H2,1-2H3/t17?,20-/m0/s1.

What are the key properties of [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?

[(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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 512.48 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(6-bromo-5-methyl-5H-imidazo[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 173060361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).