1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

C17H23N3O2S — CID 111722471

About 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 111722471) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 111722471
• Molecular Formula: C17H23N3O2S
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.15
• IUPAC Name: 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
• SMILES: CCN(CC(O)c1ccc(C)cc1)C(=O)NCc1ncc(C)s1
• InChI: InChI=1S/C17H23N3O2S/c1-4-20(11-15(21)14-7-5-12(2)6-8-14)17(22)19-10-16-18-9-13(3)23-16/h5-9,15,21H,4,10-11H2,1-3H3,(H,19,22)
• InChIKey: AMHNNJGYNWYKOP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?

The IUPAC name of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 111722471) is 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

What is the SMILES notation for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?

The canonical SMILES for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is CCN(CC(O)c1ccc(C)cc1)C(=O)NCc1ncc(C)s1.

What is the InChIKey of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?

The InChIKey is AMHNNJGYNWYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20(11-15(21)14-7-5-12(2)6-8-14)17(22)19-10-16-18-9-13(3)23-16/h5-9,15,21H,4,10-11H2,1-3H3,(H,19,22).

What are the key properties of 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?

1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 111722471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).