3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C16H19N3O2S — CID 71981686

About 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71981686) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
• PubChem CID: 71981686
• Molecular Formula: C16H19N3O2S
• Molecular Weight: 317.41 g/mol
• Exact Mass: 317.12
• IUPAC Name: 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
• SMILES: CCc1cnc(CN(C)C(=O)NC2COc3ccccc32)s1
• InChI: InChI=1S/C16H19N3O2S/c1-3-11-8-17-15(22-11)9-19(2)16(20)18-13-10-21-14-7-5-4-6-12(13)14/h4-8,13H,3,9-10H2,1-2H3,(H,18,20)
• InChIKey: JZVDERJJDMYBLJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.41
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71981686) is 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is CCc1cnc(CN(C)C(=O)NC2COc3ccccc32)s1.

What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The InChIKey is JZVDERJJDMYBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-11-8-17-15(22-11)9-19(2)16(20)18-13-10-21-14-7-5-4-6-12(13)14/h4-8,13H,3,9-10H2,1-2H3,(H,18,20).

What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 317.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71981686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).