1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine

C₁₄H₁₉N₃OS — CID 107133895

About 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine

1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 107133895) has the molecular formula C₁₄H₁₉N₃OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
• PubChem CID: 107133895
• Molecular Formula: C₁₄H₁₉N₃OS
• Molecular Weight: 277.39 g/mol
• Exact Mass: 277.12
• IUPAC Name: 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
• SMILES: COc1ccc(N2C(N)=NCC2C2CCSC2)cc1
• InChI: InChI=1S/C14H19N3OS/c1-18-12-4-2-11(3-5-12)17-13(8-16-14(17)15)10-6-7-19-9-10/h2-5,10,13H,6-9H2,1H3,(H2,15,16)
• InChIKey: CDTYWNCKURJFLV-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 50.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.39
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?

The IUPAC name of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine (CID 107133895) is 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine.

What is the SMILES notation for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?

The canonical SMILES for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine is COc1ccc(N2C(N)=NCC2C2CCSC2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?

The InChIKey is CDTYWNCKURJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-12-4-2-11(3-5-12)17-13(8-16-14(17)15)10-6-7-19-9-10/h2-5,10,13H,6-9H2,1H3,(H2,15,16).

What are the key properties of 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine?

1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 107133895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107133895 — identifiers, structure, computed properties (public domain)

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