3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide

C18H15FN4O2S — CID 7301639

About 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide

3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide (PubChem CID 7301639) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
• PubChem CID: 7301639
• Molecular Formula: C18H15FN4O2S
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.09
• IUPAC Name: 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
• SMILES: C[C@@H](NC(=O)c1cccc(F)c1)C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C18H15FN4O2S/c1-11(20-16(25)13-8-5-9-14(19)10-13)15(24)21-18-23-22-17(26-18)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,25)(H,21,23,24)/t11-/m1/s1
• InChIKey: RFSIGQVTGCAFKQ-LLVKDONJSA-N
• XLogP: 3.10
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide (CID 7301639) is 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide.

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

The canonical SMILES for 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide is C[C@@H](NC(=O)c1cccc(F)c1)C(=O)Nc1nnc(-c2ccccc2)s1.

What is the InChIKey of 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide?

The InChIKey is RFSIGQVTGCAFKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-11(20-16(25)13-8-5-9-14(19)10-13)15(24)21-18-23-22-17(26-18)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,25)(H,21,23,24)/t11-/m1/s1.

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

3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 7301639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).