methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate

C17H14N4O5S3 — CID 90571288

About methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 90571288) has the molecular formula C17H14N4O5S3 and a molecular weight of 450.52 g/mol. Its IUPAC name is methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate
• PubChem CID: 90571288
• Molecular Formula: C17H14N4O5S3
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.01
• IUPAC Name: methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate
• SMILES: COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)nn1-c1nc(-c2ccco2)cs1
• InChI: InChI=1S/C17H14N4O5S3/c1-10-8-14(20-29(23,24)13-5-7-27-15(13)16(22)25-2)21(19-10)17-18-11(9-28-17)12-4-3-6-26-12/h3-9,20H,1-2H3
• InChIKey: CLQWUHCYLDZSFQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 116.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate?

The IUPAC name of methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate (CID 90571288) is methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate.

What is the SMILES notation for methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate?

The canonical SMILES for methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)nn1-c1nc(-c2ccco2)cs1.

What is the InChIKey of methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate?

The InChIKey is CLQWUHCYLDZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S3/c1-10-8-14(20-29(23,24)13-5-7-27-15(13)16(22)25-2)21(19-10)17-18-11(9-28-17)12-4-3-6-26-12/h3-9,20H,1-2H3.

What are the key properties of methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate?

methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 450.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 90571288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).