formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C15H21N7O5S — CID 163333990

About formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 163333990) has the molecular formula C15H21N7O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 163333990
• Molecular Formula: C15H21N7O5S
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.13
• IUPAC Name: formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COCc1nnc(N2CC(C(=O)N(C)Cc3nncn3C)CC2=O)s1.O=CO
• InChI: InChI=1S/C14H19N7O3S.CH2O2/c1-19(6-10-16-15-8-20(10)2)13(23)9-4-12(22)21(5-9)14-18-17-11(25-14)7-24-3;2-1-3/h8-9H,4-7H2,1-3H3;1H,(H,2,3)
• InChIKey: NBHVEBUGYWMOJR-UHFFFAOYSA-N
• XLogP: -0.47
• TPSA: 143.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	-0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 163333990) is formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COCc1nnc(N2CC(C(=O)N(C)Cc3nncn3C)CC2=O)s1.O=CO.

What is the InChIKey of formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is NBHVEBUGYWMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3S.CH2O2/c1-19(6-10-16-15-8-20(10)2)13(23)9-4-12(22)21(5-9)14-18-17-11(25-14)7-24-3;2-1-3/h8-9H,4-7H2,1-3H3;1H,(H,2,3).

What are the key properties of formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?

formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 163333990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).