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

C18H18N4O2S2 — CID 43020450

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

N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 43020450) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 43020450
• Molecular Formula: C18H18N4O2S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.09
• IUPAC Name: N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1cccs1)C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C18H18N4O2S2/c1-11(2)14(19-15(23)13-9-6-10-25-13)16(24)20-18-22-21-17(26-18)12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H,19,23)(H,20,22,24)
• InChIKey: YHASBCOZTLSJIL-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.66
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-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide (CID 43020450) is N-[3-methyl-1-oxo-1-[(5-phenyl-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-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1nnc(-c2ccccc2)s1.

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

The InChIKey is YHASBCOZTLSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11(2)14(19-15(23)13-9-6-10-25-13)16(24)20-18-22-21-17(26-18)12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H,19,23)(H,20,22,24).

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

N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.66, 6 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-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43020450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).