4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide

C17H21FN4O2S — CID 55943054

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

4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide (PubChem CID 55943054) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
• PubChem CID: 55943054
• Molecular Formula: C17H21FN4O2S
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.14
• IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
• SMILES: CCCc1nnc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)s1
• InChI: InChI=1S/C17H21FN4O2S/c1-4-5-13-21-22-17(25-13)20-16(24)14(10(2)3)19-15(23)11-6-8-12(18)9-7-11/h6-10,14H,4-5H2,1-3H3,(H,19,23)(H,20,22,24)/t14-/m0/s1
• InChIKey: SBQSUYUAMSGFGS-AWEZNQCLSA-N
• XLogP: 3.02
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide (CID 55943054) is 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide is CCCc1nnc(NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)s1.

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

The InChIKey is SBQSUYUAMSGFGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-4-5-13-21-22-17(25-13)20-16(24)14(10(2)3)19-15(23)11-6-8-12(18)9-7-11/h6-10,14H,4-5H2,1-3H3,(H,19,23)(H,20,22,24)/t14-/m0/s1.

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

4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 55943054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).