1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C20H20N4O3S2 — CID 91955904

About 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 91955904) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 91955904
• Molecular Formula: C20H20N4O3S2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.10
• IUPAC Name: 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: COc1ccccc1CN1C(=O)CCC1C(=O)Nc1nnc(Cc2cccs2)s1
• InChI: InChI=1S/C20H20N4O3S2/c1-27-16-7-3-2-5-13(16)12-24-15(8-9-18(24)25)19(26)21-20-23-22-17(29-20)11-14-6-4-10-28-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,23,26)
• InChIKey: GIEDFJYZUZRGNC-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 91955904) is 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is COc1ccccc1CN1C(=O)CCC1C(=O)Nc1nnc(Cc2cccs2)s1.

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

The InChIKey is GIEDFJYZUZRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-27-16-7-3-2-5-13(16)12-24-15(8-9-18(24)25)19(26)21-20-23-22-17(29-20)11-14-6-4-10-28-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,23,26).

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

1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).