5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C20H14Cl2N2O2S — CID 43836952

About 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 43836952) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 43836952
• Molecular Formula: C20H14Cl2N2O2S
• Molecular Weight: 417.32 g/mol
• Exact Mass: 416.02
• IUPAC Name: 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1nc(NC(=O)c2cc3cc(Cl)ccc3o2)sc1Cc1cccc(Cl)c1
• InChI: InChI=1S/C20H14Cl2N2O2S/c1-11-18(8-12-3-2-4-14(21)7-12)27-20(23-11)24-19(25)17-10-13-9-15(22)5-6-16(13)26-17/h2-7,9-10H,8H2,1H3,(H,23,24,25)
• InChIKey: ZXNHCKKNXIHFPS-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.32
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 43836952) is 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is Cc1nc(NC(=O)c2cc3cc(Cl)ccc3o2)sc1Cc1cccc(Cl)c1.

What is the InChIKey of 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?

The InChIKey is ZXNHCKKNXIHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c1-11-18(8-12-3-2-4-14(21)7-12)27-20(23-11)24-19(25)17-10-13-9-15(22)5-6-16(13)26-17/h2-7,9-10H,8H2,1H3,(H,23,24,25).

What are the key properties of 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?

5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 417.32 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43836952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).