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

C20H22ClN3O2S — CID 24610928

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

7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 24610928) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 24610928
• Molecular Formula: C20H22ClN3O2S
• Molecular Weight: 403.94 g/mol
• Exact Mass: 403.11
• IUPAC Name: 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)oc2c(Cl)cccc12
• InChI: InChI=1S/C20H22ClN3O2S/c1-12-6-8-24(9-7-12)10-14-11-27-20(22-14)23-19(25)17-13(2)15-4-3-5-16(21)18(15)26-17/h3-5,11-12H,6-10H2,1-2H3,(H,22,23,25)
• InChIKey: RACHDZHYKGBHOB-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.94
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 24610928) is 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

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

The canonical SMILES for 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)oc2c(Cl)cccc12.

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

The InChIKey is RACHDZHYKGBHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-12-6-8-24(9-7-12)10-14-11-27-20(22-14)23-19(25)17-13(2)15-4-3-5-16(21)18(15)26-17/h3-5,11-12H,6-10H2,1-2H3,(H,22,23,25).

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

7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24610928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).