3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

C16H24N4O2S — CID 125436046

About 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 125436046) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
• PubChem CID: 125436046
• Molecular Formula: C16H24N4O2S
• Molecular Weight: 336.46 g/mol
• Exact Mass: 336.16
• IUPAC Name: 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
• SMILES: Cc1cc(CN(C)C(=O)NC[C@@H](c2sccc2C)N(C)C)on1
• InChI: InChI=1S/C16H24N4O2S/c1-11-6-7-23-15(11)14(19(3)4)9-17-16(21)20(5)10-13-8-12(2)18-22-13/h6-8,14H,9-10H2,1-5H3,(H,17,21)/t14-/m0/s1
• InChIKey: UNLTWRPGIQOGMZ-AWEZNQCLSA-N
• XLogP: 2.80
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.46
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?

The IUPAC name of 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 125436046) is 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

What is the SMILES notation for 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?

The canonical SMILES for 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is Cc1cc(CN(C)C(=O)NC[C@@H](c2sccc2C)N(C)C)on1.

What is the InChIKey of 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?

The InChIKey is UNLTWRPGIQOGMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11-6-7-23-15(11)14(19(3)4)9-17-16(21)20(5)10-13-8-12(2)18-22-13/h6-8,14H,9-10H2,1-5H3,(H,17,21)/t14-/m0/s1.

What are the key properties of 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?

3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 336.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 125436046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).