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

C13H16N4O2S2 — CID 51299441

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

N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 51299441) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
• PubChem CID: 51299441
• Molecular Formula: C13H16N4O2S2
• Molecular Weight: 324.43 g/mol
• Exact Mass: 324.07
• IUPAC Name: N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
• SMILES: CC(NC(=O)c1cccs1)C(=O)Nc1nnc(C(C)C)s1
• InChI: InChI=1S/C13H16N4O2S2/c1-7(2)12-16-17-13(21-12)15-10(18)8(3)14-11(19)9-5-4-6-20-9/h4-8H,1-3H3,(H,14,19)(H,15,17,18)
• InChIKey: XJUFKQHLWGKJGJ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.43
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide (CID 51299441) is N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide.

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

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

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

The InChIKey is XJUFKQHLWGKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-7(2)12-16-17-13(21-12)15-10(18)8(3)14-11(19)9-5-4-6-20-9/h4-8H,1-3H3,(H,14,19)(H,15,17,18).

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

N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51299441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).