2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide

C19H22N2O3S — CID 86891353

About 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 86891353) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 86891353
• Molecular Formula: C19H22N2O3S
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.14
• IUPAC Name: 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1cnc(C3CC3)s1)OC(C)C2
• InChI: InChI=1S/C19H22N2O3S/c1-3-23-15-7-13-6-11(2)24-16(13)8-14(15)9-20-18(22)17-10-21-19(25-17)12-4-5-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,22)
• InChIKey: UBYFNIQSJBKORD-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide (CID 86891353) is 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide is CCOc1cc2c(cc1CNC(=O)c1cnc(C3CC3)s1)OC(C)C2.

What is the InChIKey of 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UBYFNIQSJBKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-23-15-7-13-6-11(2)24-16(13)8-14(15)9-20-18(22)17-10-21-19(25-17)12-4-5-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,22).

What are the key properties of 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide?

2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).