N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide

C22H20FN5OS — CID 122438696

About N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide

N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide (PubChem CID 122438696) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide
• PubChem CID: 122438696
• Molecular Formula: C22H20FN5OS
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.14
• IUPAC Name: N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide
• SMILES: O=C(N[C@H]1CCC[C@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1-n1ccnc1
• InChI: InChI=1S/C22H20FN5OS/c23-14-8-9-18-20(12-14)30-22(27-18)26-17-6-3-5-16(17)25-21(29)15-4-1-2-7-19(15)28-11-10-24-13-28/h1-2,4,7-13,16-17H,3,5-6H2,(H,25,29)(H,26,27)/t16-,17+/m0/s1
• InChIKey: OBSXQTMWRBTGMX-DLBZAZTESA-N
• XLogP: 4.38
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide?

The IUPAC name of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide (CID 122438696) is N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide.

What is the SMILES notation for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide?

The canonical SMILES for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide is O=C(N[C@H]1CCC[C@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1-n1ccnc1.

What is the InChIKey of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide?

The InChIKey is OBSXQTMWRBTGMX-DLBZAZTESA-N. The full InChI is InChI=1S/C22H20FN5OS/c23-14-8-9-18-20(12-14)30-22(27-18)26-17-6-3-5-16(17)25-21(29)15-4-1-2-7-19(15)28-11-10-24-13-28/h1-2,4,7-13,16-17H,3,5-6H2,(H,25,29)(H,26,27)/t16-,17+/m0/s1.

What are the key properties of N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide?

N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide has a molecular weight of 421.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-imidazol-1-ylbenzamide is sourced from PubChem (CID 122438696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).