ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C24H21N3O5S2 — CID 55510366

About ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55510366) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 55510366
• Molecular Formula: C24H21N3O5S2
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.09
• IUPAC Name: ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc(NC(=O)c3ccco3)s2)nc1C
• InChI: InChI=1S/C24H21N3O5S2/c1-3-31-23(30)20-15(2)25-24(34-20)27(14-16-8-5-4-6-9-16)22(29)18-11-12-19(33-18)26-21(28)17-10-7-13-32-17/h4-13H,3,14H2,1-2H3,(H,26,28)
• InChIKey: FWNDJYQOFVDSAY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 55510366) is ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc(NC(=O)c3ccco3)s2)nc1C.

What is the InChIKey of ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is FWNDJYQOFVDSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-3-31-23(30)20-15(2)25-24(34-20)27(14-16-8-5-4-6-9-16)22(29)18-11-12-19(33-18)26-21(28)17-10-7-13-32-17/h4-13H,3,14H2,1-2H3,(H,26,28).

What are the key properties of ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?

ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[benzyl-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55510366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).