[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

C23H19N3O5S2 — CID 46679403

About [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 46679403) has the molecular formula C23H19N3O5S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

• Compound Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
• PubChem CID: 46679403
• Molecular Formula: C23H19N3O5S2
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.08
• IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
• SMILES: Cc1cc(NC(=O)c2ccco2)sc1C(=O)OC(C)C(=O)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C23H19N3O5S2/c1-13-11-18(25-21(28)17-9-6-10-30-17)33-19(13)22(29)31-14(2)20(27)26-23-24-16(12-32-23)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,25,28)(H,24,26,27)
• InChIKey: NEPFOFHWBPOEBS-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?

The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 46679403) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?

The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is Cc1cc(NC(=O)c2ccco2)sc1C(=O)OC(C)C(=O)Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?

The InChIKey is NEPFOFHWBPOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S2/c1-13-11-18(25-21(28)17-9-6-10-30-17)33-19(13)22(29)31-14(2)20(27)26-23-24-16(12-32-23)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,25,28)(H,24,26,27).

What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 481.56 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 46679403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).