N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H18FN3O2S — CID 90604200

About N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90604200) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 90604200
• Molecular Formula: C19H18FN3O2S
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.11
• IUPAC Name: N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
• SMILES: COc1ccc2nc(N3CC(C(=O)NCc4ccccc4F)C3)sc2c1
• InChI: InChI=1S/C19H18FN3O2S/c1-25-14-6-7-16-17(8-14)26-19(22-16)23-10-13(11-23)18(24)21-9-12-4-2-3-5-15(12)20/h2-8,13H,9-11H2,1H3,(H,21,24)
• InChIKey: LGUDKJKJJZUXAQ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 90604200) is N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)NCc4ccccc4F)C3)sc2c1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is LGUDKJKJJZUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-25-14-6-7-16-17(8-14)26-19(22-16)23-10-13(11-23)18(24)21-9-12-4-2-3-5-15(12)20/h2-8,13H,9-11H2,1H3,(H,21,24).

What are the key properties of N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?

N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90604200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).