N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C18H24N6O2S — CID 167918114

About N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167918114) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 167918114
• Molecular Formula: C18H24N6O2S
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.17
• IUPAC Name: N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
• SMILES: Cn1cc(C2CCN(C(=O)C(=O)NCc3nnc(C4CCC4)s3)CC2)cn1
• InChI: InChI=1S/C18H24N6O2S/c1-23-11-14(9-20-23)12-5-7-24(8-6-12)18(26)16(25)19-10-15-21-22-17(27-15)13-3-2-4-13/h9,11-13H,2-8,10H2,1H3,(H,19,25)
• InChIKey: LPMPSZQLZMXSRL-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 167918114) is N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cn1cc(C2CCN(C(=O)C(=O)NCc3nnc(C4CCC4)s3)CC2)cn1.

What is the InChIKey of N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

The InChIKey is LPMPSZQLZMXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-23-11-14(9-20-23)12-5-7-24(8-6-12)18(26)16(25)19-10-15-21-22-17(27-15)13-3-2-4-13/h9,11-13H,2-8,10H2,1H3,(H,19,25).

What are the key properties of N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?

N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 388.50 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167918114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).