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

C24H24N4O4S — CID 56765074

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

N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 56765074) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 56765074
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: Cc1ccc(N2CC(C(=O)N3CCc4nc(NC(=O)c5ccco5)sc4C3)CC2=O)cc1C
• InChI: InChI=1S/C24H24N4O4S/c1-14-5-6-17(10-15(14)2)28-12-16(11-21(28)29)23(31)27-8-7-18-20(13-27)33-24(25-18)26-22(30)19-4-3-9-32-19/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,25,26,30)
• InChIKey: XRZZOZQMSHJUPZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 95.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 56765074) is N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is Cc1ccc(N2CC(C(=O)N3CCc4nc(NC(=O)c5ccco5)sc4C3)CC2=O)cc1C.

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

The InChIKey is XRZZOZQMSHJUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14-5-6-17(10-15(14)2)28-12-16(11-21(28)29)23(31)27-8-7-18-20(13-27)33-24(25-18)26-22(30)19-4-3-9-32-19/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,25,26,30).

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

N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 56765074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).