6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H19FN2O5S — CID 163379943

About 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163379943) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163379943
• Molecular Formula: C19H19FN2O5S
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.10
• IUPAC Name: 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncsc1COc1cc2c(C(=O)NC3(CO)COC3)c(C)oc2cc1F
• InChI: InChI=1S/C19H19FN2O5S/c1-10-16(28-9-21-10)5-26-15-3-12-14(4-13(15)20)27-11(2)17(12)18(24)22-19(6-23)7-25-8-19/h3-4,9,23H,5-8H2,1-2H3,(H,22,24)
• InChIKey: WVZNCYYGGQTFLR-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 93.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163379943) is 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1cc2c(C(=O)NC3(CO)COC3)c(C)oc2cc1F.

What is the InChIKey of 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is WVZNCYYGGQTFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-10-16(28-9-21-10)5-26-15-3-12-14(4-13(15)20)27-11(2)17(12)18(24)22-19(6-23)7-25-8-19/h3-4,9,23H,5-8H2,1-2H3,(H,22,24).

What are the key properties of 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[3-(hydroxymethyl)oxetan-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).