N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C20H18N4O3S — CID 108740203

About N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108740203) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 108740203
• Molecular Formula: C20H18N4O3S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.11
• IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc2cc(N3CC(C(=O)Nc4oc(C)c(C)c4C#N)CC3=O)ccc2s1
• InChI: InChI=1S/C20H18N4O3S/c1-10-11(2)27-20(15(10)8-21)23-19(26)13-6-18(25)24(9-13)14-4-5-17-16(7-14)22-12(3)28-17/h4-5,7,13H,6,9H2,1-3H3,(H,23,26)
• InChIKey: KHBHLDMNYYOTBC-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 99.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 108740203) is N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nc2cc(N3CC(C(=O)Nc4oc(C)c(C)c4C#N)CC3=O)ccc2s1.

What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

The InChIKey is KHBHLDMNYYOTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-10-11(2)27-20(15(10)8-21)23-19(26)13-6-18(25)24(9-13)14-4-5-17-16(7-14)22-12(3)28-17/h4-5,7,13H,6,9H2,1-3H3,(H,23,26).

What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide?

N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108740203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).