3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide

C19H18FN5O2S — CID 139369041

About 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 139369041) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide
• PubChem CID: 139369041
• Molecular Formula: C19H18FN5O2S
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.12
• IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide
• SMILES: O=C(NC1CN(c2cnccn2)C1)C1CC(Oc2cc(F)cc3scnc23)C1
• InChI: InChI=1S/C19H18FN5O2S/c20-12-5-15(18-16(6-12)28-10-23-18)27-14-3-11(4-14)19(26)24-13-8-25(9-13)17-7-21-1-2-22-17/h1-2,5-7,10-11,13-14H,3-4,8-9H2,(H,24,26)
• InChIKey: FHZUWOIVDJMXTG-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide?

The IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide (CID 139369041) is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide.

What is the SMILES notation for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide?

The canonical SMILES for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide is O=C(NC1CN(c2cnccn2)C1)C1CC(Oc2cc(F)cc3scnc23)C1.

What is the InChIKey of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide?

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

What are the key properties of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide?

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139369041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).