4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H17FN4O4S — CID 59043630

About 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 59043630) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 59043630
• Molecular Formula: C19H17FN4O4S
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.10
• IUPAC Name: 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1ccc2nc(NC(=O)c3ccc(N4C[C@H](CN)OC4=O)cc3F)sc2c1
• InChI: InChI=1S/C19H17FN4O4S/c1-27-11-3-5-15-16(7-11)29-18(22-15)23-17(25)13-4-2-10(6-14(13)20)24-9-12(8-21)28-19(24)26/h2-7,12H,8-9,21H2,1H3,(H,22,23,25)/t12-/m0/s1
• InChIKey: FICIJNSEWDWANK-LBPRGKRZSA-N
• XLogP: 2.98
• TPSA: 106.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 59043630) is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccc(N4C[C@H](CN)OC4=O)cc3F)sc2c1.

What is the InChIKey of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is FICIJNSEWDWANK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-27-11-3-5-15-16(7-11)29-18(22-15)23-17(25)13-4-2-10(6-14(13)20)24-9-12(8-21)28-19(24)26/h2-7,12H,8-9,21H2,1H3,(H,22,23,25)/t12-/m0/s1.

What are the key properties of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 416.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 59043630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).