N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide

C20H24N6O3S — CID 51961435

About N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 51961435) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide
• PubChem CID: 51961435
• Molecular Formula: C20H24N6O3S
• Molecular Weight: 428.52 g/mol
• Exact Mass: 428.16
• IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide
• SMILES: Cc1csc(NC(=O)C2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1
• InChI: InChI=1S/C20H24N6O3S/c1-11-10-30-20(21-11)25-18(28)13-5-7-26(8-6-13)12(2)17(27)22-14-3-4-15-16(9-14)24-19(29)23-15/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,22,27)(H,21,25,28)(H2,23,24,29)/t12-/m1/s1
• InChIKey: CFGLAEWNQIUNIF-GFCCVEGCSA-N
• XLogP: 2.30
• TPSA: 122.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.52
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide (CID 51961435) is N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1.

What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide?

The InChIKey is CFGLAEWNQIUNIF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-11-10-30-20(21-11)25-18(28)13-5-7-26(8-6-13)12(2)17(27)22-14-3-4-15-16(9-14)24-19(29)23-15/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,22,27)(H,21,25,28)(H2,23,24,29)/t12-/m1/s1.

What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide?

N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).