2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

C29H27FN6O4S — CID 167061514

About 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167061514) has the molecular formula C29H27FN6O4S and a molecular weight of 574.64 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 167061514
• Molecular Formula: C29H27FN6O4S
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.18
• IUPAC Name: 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
• SMILES: CNC(=O)c1cnc(-n2c([C@@H]3CCCC(=O)N3c3ccc(OC)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1
• InChI: InChI=1S/C29H27FN6O4S/c1-15-26(16(2)40-34-15)17-8-10-21-20(12-17)33-27(36(21)29-32-14-24(41-29)28(38)31-3)22-6-5-7-25(37)35(22)18-9-11-23(39-4)19(30)13-18/h8-14,22H,5-7H2,1-4H3,(H,31,38)/t22-/m0/s1
• InChIKey: SJHFHQDOSPWSME-QFIPXVFZSA-N
• XLogP: 5.52
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide (CID 167061514) is 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(-n2c([C@@H]3CCCC(=O)N3c3ccc(OC)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1.

What is the InChIKey of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is SJHFHQDOSPWSME-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H27FN6O4S/c1-15-26(16(2)40-34-15)17-8-10-21-20(12-17)33-27(36(21)29-32-14-24(41-29)28(38)31-3)22-6-5-7-25(37)35(22)18-9-11-23(39-4)19(30)13-18/h8-14,22H,5-7H2,1-4H3,(H,31,38)/t22-/m0/s1.

What are the key properties of 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide?

2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 574.64 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167061514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).