N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C16H19FN4O2S — CID 52892709

About N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 52892709) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
• PubChem CID: 52892709
• Molecular Formula: C16H19FN4O2S
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.12
• IUPAC Name: N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
• SMILES: CCc1nnc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)s1
• InChI: InChI=1S/C16H19FN4O2S/c1-4-12-20-21-16(24-12)19-15(23)13(9(2)3)18-14(22)10-7-5-6-8-11(10)17/h5-9,13H,4H2,1-3H3,(H,18,22)(H,19,21,23)/t13-/m1/s1
• InChIKey: UZMZAZWUFSPSQR-CYBMUJFWSA-N
• XLogP: 2.63
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?

The IUPAC name of N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 52892709) is N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

What is the SMILES notation for N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?

The canonical SMILES for N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CCc1nnc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)s1.

What is the InChIKey of N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?

The InChIKey is UZMZAZWUFSPSQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-4-12-20-21-16(24-12)19-15(23)13(9(2)3)18-14(22)10-7-5-6-8-11(10)17/h5-9,13H,4H2,1-3H3,(H,18,22)(H,19,21,23)/t13-/m1/s1.

What are the key properties of N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?

N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 52892709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).