5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C18H10BrF2N3O2S — CID 43966816

About 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 43966816) has the molecular formula C18H10BrF2N3O2S and a molecular weight of 450.26 g/mol. Its IUPAC name is 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
• PubChem CID: 43966816
• Molecular Formula: C18H10BrF2N3O2S
• Molecular Weight: 450.26 g/mol
• Exact Mass: 448.96
• IUPAC Name: 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
• SMILES: O=C(c1ccc(Br)o1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
• InChI: InChI=1S/C18H10BrF2N3O2S/c19-15-4-3-13(26-15)17(25)24(9-10-2-1-5-22-8-10)18-23-16-12(21)6-11(20)7-14(16)27-18/h1-8H,9H2
• InChIKey: RMMZIKCTBYYZAJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.26
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?

The IUPAC name of 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 43966816) is 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(c1ccc(Br)o1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1.

What is the InChIKey of 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?

The InChIKey is RMMZIKCTBYYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF2N3O2S/c19-15-4-3-13(26-15)17(25)24(9-10-2-1-5-22-8-10)18-23-16-12(21)6-11(20)7-14(16)27-18/h1-8H,9H2.

What are the key properties of 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?

5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 450.26 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 43966816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).