N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C19H24N4O4S — CID 154563569

About N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 154563569) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 154563569
• Molecular Formula: C19H24N4O4S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: COc1cccc(OC)c1CNC(=O)C1CC(=O)N(c2nnc(C(C)C)s2)C1
• InChI: InChI=1S/C19H24N4O4S/c1-11(2)18-21-22-19(28-18)23-10-12(8-16(23)24)17(25)20-9-13-14(26-3)6-5-7-15(13)27-4/h5-7,11-12H,8-10H2,1-4H3,(H,20,25)
• InChIKey: WFIBBOJRYKMZCY-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 154563569) is N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is COc1cccc(OC)c1CNC(=O)C1CC(=O)N(c2nnc(C(C)C)s2)C1.

What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is WFIBBOJRYKMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-11(2)18-21-22-19(28-18)23-10-12(8-16(23)24)17(25)20-9-13-14(26-3)6-5-7-15(13)27-4/h5-7,11-12H,8-10H2,1-4H3,(H,20,25).

What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154563569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).