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

C19H18FN5O2S — CID 139373902

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

3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (PubChem CID 139373902) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
• PubChem CID: 139373902
• Molecular Formula: C19H18FN5O2S
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.12
• IUPAC Name: 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
• SMILES: O=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cccc3scnc23)C1
• InChI: InChI=1S/C19H18FN5O2S/c20-12-4-5-17(21-6-12)24-7-13(8-24)23-19(26)25-9-14(10-25)27-15-2-1-3-16-18(15)22-11-28-16/h1-6,11,13-14H,7-10H2,(H,23,26)
• InChIKey: IKJSIDGSGDNTNG-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide (CID 139373902) is 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide.

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

The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is O=C(NC1CN(c2ccc(F)cn2)C1)N1CC(Oc2cccc3scnc23)C1.

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

The InChIKey is IKJSIDGSGDNTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c20-12-4-5-17(21-6-12)24-7-13(8-24)23-19(26)25-9-14(10-25)27-15-2-1-3-16-18(15)22-11-28-16/h1-6,11,13-14H,7-10H2,(H,23,26).

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

3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 139373902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).