3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C18H25N3O3S — CID 86855095

About 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 86855095) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
• PubChem CID: 86855095
• Molecular Formula: C18H25N3O3S
• Molecular Weight: 363.48 g/mol
• Exact Mass: 363.16
• IUPAC Name: 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
• SMILES: CCCOc1ccc(CNC(=O)N(C)Cc2csc(C)n2)cc1OC
• InChI: InChI=1S/C18H25N3O3S/c1-5-8-24-16-7-6-14(9-17(16)23-4)10-19-18(22)21(3)11-15-12-25-13(2)20-15/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,19,22)
• InChIKey: HDKNMXXMWQYTHD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.48
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The IUPAC name of 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 86855095) is 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

What is the SMILES notation for 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The canonical SMILES for 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is CCCOc1ccc(CNC(=O)N(C)Cc2csc(C)n2)cc1OC.

What is the InChIKey of 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

The InChIKey is HDKNMXXMWQYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-5-8-24-16-7-6-14(9-17(16)23-4)10-19-18(22)21(3)11-15-12-25-13(2)20-15/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,19,22).

What are the key properties of 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?

3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 363.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 86855095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).