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

C19H19N3O4S — CID 163380265

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

2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 163380265) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 163380265
• Molecular Formula: C19H19N3O4S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.11
• IUPAC Name: 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide
• SMILES: Cc1csc(COc2ccc3oc(C)c(C(=O)NC4CCNC4=O)c3c2)n1
• InChI: InChI=1S/C19H19N3O4S/c1-10-9-27-16(21-10)8-25-12-3-4-15-13(7-12)17(11(2)26-15)19(24)22-14-5-6-20-18(14)23/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,20,23)(H,22,24)
• InChIKey: CAYIAERTEVKWAM-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide (CID 163380265) is 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide is Cc1csc(COc2ccc3oc(C)c(C(=O)NC4CCNC4=O)c3c2)n1.

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

The InChIKey is CAYIAERTEVKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-10-9-27-16(21-10)8-25-12-3-4-15-13(7-12)17(11(2)26-15)19(24)22-14-5-6-20-18(14)23/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,20,23)(H,22,24).

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

2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).