[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate

C15H13N3O4S — CID 9383473

About [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate

[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate (PubChem CID 9383473) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate.

Molecular Properties

• Compound Name: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate
• PubChem CID: 9383473
• Molecular Formula: C15H13N3O4S
• Molecular Weight: 331.35 g/mol
• Exact Mass: 331.06
• IUPAC Name: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate
• SMILES: C[C@H](OC(=O)c1ccsc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C15H13N3O4S/c1-8(22-14(20)9-4-5-23-7-9)13(19)16-10-2-3-11-12(6-10)18-15(21)17-11/h2-8H,1H3,(H,16,19)(H2,17,18,21)/t8-/m0/s1
• InChIKey: HAHZTLYYUKPTBJ-QMMMGPOBSA-N
• XLogP: 2.10
• TPSA: 104.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.35
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate?

The IUPAC name of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate (CID 9383473) is [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate.

What is the SMILES notation for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate?

The canonical SMILES for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate is C[C@H](OC(=O)c1ccsc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate?

The InChIKey is HAHZTLYYUKPTBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8(22-14(20)9-4-5-23-7-9)13(19)16-10-2-3-11-12(6-10)18-15(21)17-11/h2-8H,1H3,(H,16,19)(H2,17,18,21)/t8-/m0/s1.

What are the key properties of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate?

[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] thiophene-3-carboxylate is sourced from PubChem (CID 9383473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).