N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide

C25H18FN3O2S — CID 40983108

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide (PubChem CID 40983108) has the molecular formula C25H18FN3O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
• PubChem CID: 40983108
• Molecular Formula: C25H18FN3O2S
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.11
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
• SMILES: COc1cc2ccccc2cc1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C25H18FN3O2S/c1-31-22-12-18-7-3-2-6-17(18)11-20(22)24(30)29(15-16-5-4-10-27-14-16)25-28-21-9-8-19(26)13-23(21)32-25/h2-14H,15H2,1H3
• InChIKey: VBLZNZORUNTCGP-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.84
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)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide (CID 40983108) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide?

The InChIKey is VBLZNZORUNTCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-31-22-12-18-7-3-2-6-17(18)11-20(22)24(30)29(15-16-5-4-10-27-14-16)25-28-21-9-8-19(26)13-23(21)32-25/h2-14H,15H2,1H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 5.84, 5 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)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 40983108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).