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

C20H17FN6O2S — CID 139373879

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

N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide (PubChem CID 139373879) has the molecular formula C20H17FN6O2S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide
• PubChem CID: 139373879
• Molecular Formula: C20H17FN6O2S
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.11
• IUPAC Name: N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide
• SMILES: N#Cc1ccnc(N2CC(NC(=O)N3CC(Oc4cc(F)cc5scnc45)C3)C2)c1
• InChI: InChI=1S/C20H17FN6O2S/c21-13-4-16(19-17(5-13)30-11-24-19)29-15-9-27(10-15)20(28)25-14-7-26(8-14)18-3-12(6-22)1-2-23-18/h1-5,11,14-15H,7-10H2,(H,25,28)
• InChIKey: CLBRPLFHXWULGE-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 94.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide (CID 139373879) is N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide.

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

The canonical SMILES for N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide is N#Cc1ccnc(N2CC(NC(=O)N3CC(Oc4cc(F)cc5scnc45)C3)C2)c1.

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

The InChIKey is CLBRPLFHXWULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2S/c21-13-4-16(19-17(5-13)30-11-24-19)29-15-9-27(10-15)20(28)25-14-7-26(8-14)18-3-12(6-22)1-2-23-18/h1-5,11,14-15H,7-10H2,(H,25,28).

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

N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 139373879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).