N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C20H20N4O5S2 — CID 90531633

About N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 90531633) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 90531633
• Molecular Formula: C20H20N4O5S2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.09
• IUPAC Name: N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1
• InChI: InChI=1S/C20H20N4O5S2/c1-23(2)31(27,28)15-5-3-13(4-6-15)19(26)24-9-7-16-17(11-24)30-20(21-16)22-18(25)14-8-10-29-12-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,21,22,25)
• InChIKey: PGSSNHVSAUJTID-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 112.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The IUPAC name of N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 90531633) is N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1.

What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The InChIKey is PGSSNHVSAUJTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-23(2)31(27,28)15-5-3-13(4-6-15)19(26)24-9-7-16-17(11-24)30-20(21-16)22-18(25)14-8-10-29-12-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,21,22,25).

What are the key properties of N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90531633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).