5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

C17H13FN4O3S — CID 3240046

About 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine

5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 3240046) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
• PubChem CID: 3240046
• Molecular Formula: C17H13FN4O3S
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.07
• IUPAC Name: 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
• SMILES: COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1
• InChI: InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
• InChIKey: DIPCWZOATLQURP-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 82.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 3240046) is 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1.

What is the InChIKey of 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?

The InChIKey is DIPCWZOATLQURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22).

What are the key properties of 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine?

5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 372.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3240046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).