2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

C27H30N2S5 — CID 143976151

About 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (PubChem CID 143976151) has the molecular formula C27H30N2S5 and a molecular weight of 542.89 g/mol. Its IUPAC name is 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane.

Molecular Properties

• Compound Name: 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• PubChem CID: 143976151
• Molecular Formula: C27H30N2S5
• Molecular Weight: 542.89 g/mol
• Exact Mass: 542.10
• IUPAC Name: 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• SMILES: CC.Cc1ccc(-c2cc(CCN)c(-c3ccc(-c4sc(-c5cccs5)cc4CCN)s3)s2)s1
• InChI: InChI=1S/C25H24N2S5.C2H6/c1-15-4-5-19(29-15)23-14-17(9-11-27)25(32-23)21-7-6-20(30-21)24-16(8-10-26)13-22(31-24)18-3-2-12-28-18;1-2/h2-7,12-14H,8-11,26-27H2,1H3;1-2H3
• InChIKey: BLJURYRSJGKLPP-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.89
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

The IUPAC name of 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (CID 143976151) is 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane.

What is the SMILES notation for 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

The canonical SMILES for 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is CC.Cc1ccc(-c2cc(CCN)c(-c3ccc(-c4sc(-c5cccs5)cc4CCN)s3)s2)s1.

What is the InChIKey of 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

The InChIKey is BLJURYRSJGKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2S5.C2H6/c1-15-4-5-19(29-15)23-14-17(9-11-27)25(32-23)21-7-6-20(30-21)24-16(8-10-26)13-22(31-24)18-3-2-12-28-18;1-2/h2-7,12-14H,8-11,26-27H2,1H3;1-2H3.

What are the key properties of 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane has a molecular weight of 542.89 g/mol, XLogP of 9.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is sourced from PubChem (CID 143976151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).