N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

C23H20FN3O2S — CID 40983101

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 40983101) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 40983101
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
• SMILES: CC(C)Oc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1
• InChI: InChI=1S/C23H20FN3O2S/c1-15(2)29-19-8-5-17(6-9-19)22(28)27(14-16-4-3-11-25-13-16)23-26-20-10-7-18(24)12-21(20)30-23/h3-13,15H,14H2,1-2H3
• InChIKey: ODERWTUDXDYFJJ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (CID 40983101) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is CC(C)Oc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is ODERWTUDXDYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-15(2)29-19-8-5-17(6-9-19)22(28)27(14-16-4-3-11-25-13-16)23-26-20-10-7-18(24)12-21(20)30-23/h3-13,15H,14H2,1-2H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 40983101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).