N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C20H24N2O3S — CID 91781882

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91781882) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 91781882
• Molecular Formula: C20H24N2O3S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.15
• IUPAC Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(C)c(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)s1
• InChI: InChI=1S/C20H24N2O3S/c1-3-17-21-11(2)19(26-17)20(24)22-18(14-9-15(23)10-14)13-4-5-16-12(8-13)6-7-25-16/h4-5,8,14-15,18,23H,3,6-7,9-10H2,1-2H3,(H,22,24)
• InChIKey: LYNQKXDRNKUBLT-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 91781882) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)s1.

What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is LYNQKXDRNKUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-17-21-11(2)19(26-17)20(24)22-18(14-9-15(23)10-14)13-4-5-16-12(8-13)6-7-25-16/h4-5,8,14-15,18,23H,3,6-7,9-10H2,1-2H3,(H,22,24).

What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91781882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).