N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide

C15H20N4O2S2 — CID 43020439

About N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 43020439) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 43020439
• Molecular Formula: C15H20N4O2S2
• Molecular Weight: 352.49 g/mol
• Exact Mass: 352.10
• IUPAC Name: N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
• SMILES: CCCc1nnc(NC(=O)C(NC(=O)c2cccs2)C(C)C)s1
• InChI: InChI=1S/C15H20N4O2S2/c1-4-6-11-18-19-15(23-11)17-14(21)12(9(2)3)16-13(20)10-7-5-8-22-10/h5,7-9,12H,4,6H2,1-3H3,(H,16,20)(H,17,19,21)
• InChIKey: PYEXVUKQOXKOEH-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide (CID 43020439) is N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide is CCCc1nnc(NC(=O)C(NC(=O)c2cccs2)C(C)C)s1.

What is the InChIKey of N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

The InChIKey is PYEXVUKQOXKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-4-6-11-18-19-15(23-11)17-14(21)12(9(2)3)16-13(20)10-7-5-8-22-10/h5,7-9,12H,4,6H2,1-3H3,(H,16,20)(H,17,19,21).

What are the key properties of N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 352.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).