N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C23H15BrN2O3S — CID 34852399

About N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 34852399) has the molecular formula C23H15BrN2O3S and a molecular weight of 479.36 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• PubChem CID: 34852399
• Molecular Formula: C23H15BrN2O3S
• Molecular Weight: 479.36 g/mol
• Exact Mass: 478.00
• IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(COc2ccc3ccccc3c2)o1
• InChI: InChI=1S/C23H15BrN2O3S/c24-16-6-9-19-21(12-16)30-23(25-19)26-22(27)20-10-8-18(29-20)13-28-17-7-5-14-3-1-2-4-15(14)11-17/h1-12H,13H2,(H,25,26,27)
• InChIKey: VQFUMUDMLPCKEI-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.36
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 34852399) is N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(COc2ccc3ccccc3c2)o1.

What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The InChIKey is VQFUMUDMLPCKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2O3S/c24-16-6-9-19-21(12-16)30-23(25-19)26-22(27)20-10-8-18(29-20)13-28-17-7-5-14-3-1-2-4-15(14)11-17/h1-12H,13H2,(H,25,26,27).

What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 479.36 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 34852399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).