3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide

C19H17F2N5O2S — CID 134430396

About 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (PubChem CID 134430396) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
• PubChem CID: 134430396
• Molecular Formula: C19H17F2N5O2S
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.11
• IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
• SMILES: O=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cc(F)cc3scnc23)C1
• InChI: InChI=1S/C19H17F2N5O2S/c20-11-1-2-17(22-5-11)25-6-13(7-25)24-19(27)26-8-14(9-26)28-15-3-12(21)4-16-18(15)23-10-29-16/h1-5,10,13-14H,6-9H2,(H,24,27)
• InChIKey: HEGBXROZTLMDLF-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?

The IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (CID 134430396) is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.

What is the SMILES notation for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?

The canonical SMILES for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is O=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cc(F)cc3scnc23)C1.

What is the InChIKey of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?

The InChIKey is HEGBXROZTLMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c20-11-1-2-17(22-5-11)25-6-13(7-25)24-19(27)26-8-14(9-26)28-15-3-12(21)4-16-18(15)23-10-29-16/h1-5,10,13-14H,6-9H2,(H,24,27).

What are the key properties of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide?

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 134430396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).