1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19N5O2S2 — CID 154564563

About 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 154564563) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 154564563
• Molecular Formula: C19H19N5O2S2
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.10
• IUPAC Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc(CNC(=O)C2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)cs1
• InChI: InChI=1S/C19H19N5O2S2/c1-12-21-15(11-27-12)9-20-18(26)14-8-17(25)24(10-14)19-23-22-16(28-19)7-13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,20,26)
• InChIKey: XIQAKXQNKJBEFA-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 154564563) is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)cs1.

What is the InChIKey of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is XIQAKXQNKJBEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-12-21-15(11-27-12)9-20-18(26)14-8-17(25)24(10-14)19-23-22-16(28-19)7-13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,20,26).

What are the key properties of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154564563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).