2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

C28H31FN2S5 — CID 143976144

About 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (PubChem CID 143976144) has the molecular formula C28H31FN2S5 and a molecular weight of 574.90 g/mol. Its IUPAC name is 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-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-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• PubChem CID: 143976144
• Molecular Formula: C28H31FN2S5
• Molecular Weight: 574.90 g/mol
• Exact Mass: 574.11
• IUPAC Name: 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• SMILES: CC.CC1(F)C=CSC(c2cc(CCN)c(-c3ccc(-c4sc(-c5cccs5)cc4CCN)s3)s2)=C1
• InChI: InChI=1S/C26H25FN2S5.C2H6/c1-26(27)8-12-31-23(15-26)22-14-17(7-10-29)25(34-22)20-5-4-19(32-20)24-16(6-9-28)13-21(33-24)18-3-2-11-30-18;1-2/h2-5,8,11-15H,6-7,9-10,28-29H2,1H3;1-2H3
• InChIKey: WEUXPBWQTIYEGD-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.90
LogP ≤ 5	9.29
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-(4-fluoro-4-methylthiopyran-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-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (CID 143976144) is 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-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-(4-fluoro-4-methylthiopyran-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-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is CC.CC1(F)C=CSC(c2cc(CCN)c(-c3ccc(-c4sc(-c5cccs5)cc4CCN)s3)s2)=C1.

What is the InChIKey of 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

The InChIKey is WEUXPBWQTIYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2S5.C2H6/c1-26(27)8-12-31-23(15-26)22-14-17(7-10-29)25(34-22)20-5-4-19(32-20)24-16(6-9-28)13-21(33-24)18-3-2-11-30-18;1-2/h2-5,8,11-15H,6-7,9-10,28-29H2,1H3;1-2H3.

What are the key properties of 2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

2-[2-[5-[3-(2-aminoethyl)-5-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane has a molecular weight of 574.90 g/mol, XLogP of 9.29, 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-(4-fluoro-4-methylthiopyran-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is sourced from PubChem (CID 143976144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).