N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C20H20FN3O2S — CID 121128838

About N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128838) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 121128838
• Molecular Formula: C20H20FN3O2S
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.13
• IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• SMILES: COc1ccc2sc(N3CC(C(=O)NCCc4ccc(F)cc4)C3)nc2c1
• InChI: InChI=1S/C20H20FN3O2S/c1-26-16-6-7-18-17(10-16)23-20(27-18)24-11-14(12-24)19(25)22-9-8-13-2-4-15(21)5-3-13/h2-7,10,14H,8-9,11-12H2,1H3,(H,22,25)
• InChIKey: GWGXEEMAAYUPMS-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128838) is N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1ccc2sc(N3CC(C(=O)NCCc4ccc(F)cc4)C3)nc2c1.

What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is GWGXEEMAAYUPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-26-16-6-7-18-17(10-16)23-20(27-18)24-11-14(12-24)19(25)22-9-8-13-2-4-15(21)5-3-13/h2-7,10,14H,8-9,11-12H2,1H3,(H,22,25).

What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).