methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate

C17H15N3O5S4 — CID 90532336

About methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate

methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (PubChem CID 90532336) has the molecular formula C17H15N3O5S4 and a molecular weight of 469.59 g/mol. Its IUPAC name is methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
• PubChem CID: 90532336
• Molecular Formula: C17H15N3O5S4
• Molecular Weight: 469.59 g/mol
• Exact Mass: 468.99
• IUPAC Name: methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
• SMILES: COC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1
• InChI: InChI=1S/C17H15N3O5S4/c1-25-16(22)14-13(4-7-27-14)29(23,24)20-5-2-11-12(8-20)28-17(18-11)19-15(21)10-3-6-26-9-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,18,19,21)
• InChIKey: DHVQYCHOWZOFGJ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 105.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?

The IUPAC name of methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate (CID 90532336) is methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate.

What is the SMILES notation for methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?

The canonical SMILES for methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1.

What is the InChIKey of methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?

The InChIKey is DHVQYCHOWZOFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S4/c1-25-16(22)14-13(4-7-27-14)29(23,24)20-5-2-11-12(8-20)28-17(18-11)19-15(21)10-3-6-26-9-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,18,19,21).

What are the key properties of methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate?

methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate has a molecular weight of 469.59 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate is sourced from PubChem (CID 90532336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).