2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

C16H18FN3O2S — CID 2679243

About 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 2679243) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 2679243
• Molecular Formula: C16H18FN3O2S
• Molecular Weight: 335.40 g/mol
• Exact Mass: 335.11
• IUPAC Name: 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
• SMILES: Cc1csc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)n1
• InChI: InChI=1S/C16H18FN3O2S/c1-9(2)13(15(22)20-16-18-10(3)8-23-16)19-14(21)11-6-4-5-7-12(11)17/h4-9,13H,1-3H3,(H,19,21)(H,18,20,22)/t13-/m1/s1
• InChIKey: UOCRRDCQWNZWFN-CYBMUJFWSA-N
• XLogP: 2.98
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.40
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (CID 2679243) is 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is Cc1csc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)n1.

What is the InChIKey of 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?

The InChIKey is UOCRRDCQWNZWFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-9(2)13(15(22)20-16-18-10(3)8-23-16)19-14(21)11-6-4-5-7-12(11)17/h4-9,13H,1-3H3,(H,19,21)(H,18,20,22)/t13-/m1/s1.

What are the key properties of 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?

2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 335.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).