N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H15FN2O2S — CID 55614121

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55614121) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 55614121
• Molecular Formula: C19H15FN2O2S
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.08
• IUPAC Name: N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1Cc2ccccc2O1
• InChI: InChI=1S/C19H15FN2O2S/c20-14-6-3-4-12(8-14)9-15-11-21-19(25-15)22-18(23)17-10-13-5-1-2-7-16(13)24-17/h1-8,11,17H,9-10H2,(H,21,22,23)
• InChIKey: CPAXXOPSUOODAM-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55614121) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1Cc2ccccc2O1.

What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is CPAXXOPSUOODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-14-6-3-4-12(8-14)9-15-11-21-19(25-15)22-18(23)17-10-13-5-1-2-7-16(13)24-17/h1-8,11,17H,9-10H2,(H,21,22,23).

What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55614121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).