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

C21H17ClN2O2S — CID 7921774

About 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7921774) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 7921774
• Molecular Formula: C21H17ClN2O2S
• Molecular Weight: 396.90 g/mol
• Exact Mass: 396.07
• IUPAC Name: 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc(C)c(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)c1
• InChI: InChI=1S/C21H17ClN2O2S/c1-11-7-8-12(2)15(9-11)17-10-27-21(23-17)24-20(25)18-13(3)14-5-4-6-16(22)19(14)26-18/h4-10H,1-3H3,(H,23,24,25)
• InChIKey: FJPWKDHDFFBEPI-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.90
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 7921774) is 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is Cc1ccc(C)c(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)c1.

What is the InChIKey of 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is FJPWKDHDFFBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-11-7-8-12(2)15(9-11)17-10-27-21(23-17)24-20(25)18-13(3)14-5-4-6-16(22)19(14)26-18/h4-10H,1-3H3,(H,23,24,25).

What are the key properties of 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?

7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7921774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).