5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine

C₁₄H₁₆N₂OS — CID 61331092

About 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine (PubChem CID 61331092) has the molecular formula C₁₄H₁₆N₂OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
• PubChem CID: 61331092
• Molecular Formula: C₁₄H₁₆N₂OS
• Molecular Weight: 260.36 g/mol
• Exact Mass: 260.10
• IUPAC Name: 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
• SMILES: COc1cccc(C(N)c2nc3c(s2)CCC3)c1
• InChI: InChI=1S/C14H16N2OS/c1-17-10-5-2-4-9(8-10)13(15)14-16-11-6-3-7-12(11)18-14/h2,4-5,8,13H,3,6-7,15H2,1H3
• InChIKey: ZNZAAAPDFSZHFW-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.36
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?

The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine (CID 61331092) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine.

What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?

The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2nc3c(s2)CCC3)c1.

What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?

The InChIKey is ZNZAAAPDFSZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-10-5-2-4-9(8-10)13(15)14-16-11-6-3-7-12(11)18-14/h2,4-5,8,13H,3,6-7,15H2,1H3.

What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine?

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 61331092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61331092 — identifiers, structure, computed properties (public domain)

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