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

C15H19N5O4S2 — CID 155938580

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid (PubChem CID 155938580) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
• PubChem CID: 155938580
• Molecular Formula: C15H19N5O4S2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
• SMILES: Cc1nnc(N2CC(C(=O)NCc3sc(C)nc3C)CC2=O)s1.O=CO
• InChI: InChI=1S/C14H17N5O2S2.CH2O2/c1-7-11(22-8(2)16-7)5-15-13(21)10-4-12(20)19(6-10)14-18-17-9(3)23-14;2-1-3/h10H,4-6H2,1-3H3,(H,15,21);1H,(H,2,3)
• InChIKey: WCZJHYSMCYWATP-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 125.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid (CID 155938580) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid.

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

The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid is Cc1nnc(N2CC(C(=O)NCc3sc(C)nc3C)CC2=O)s1.O=CO.

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

The InChIKey is WCZJHYSMCYWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S2.CH2O2/c1-7-11(22-8(2)16-7)5-15-13(21)10-4-12(20)19(6-10)14-18-17-9(3)23-14;2-1-3/h10H,4-6H2,1-3H3,(H,15,21);1H,(H,2,3).

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid has a molecular weight of 397.48 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid is sourced from PubChem (CID 155938580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).