2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

C27H32N2S5 — CID 143976116

About 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane

2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (PubChem CID 143976116) has the molecular formula C27H32N2S5 and a molecular weight of 544.90 g/mol. Its IUPAC name is 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• PubChem CID: 143976116
• Molecular Formula: C27H32N2S5
• Molecular Weight: 544.90 g/mol
• Exact Mass: 544.12
• IUPAC Name: 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
• SMILES: C=C(S/C=C\C)c1cc(CCN)c(-c2ccc(-c3sc(-c4cccs4)cc3CCN)s2)s1.CC
• InChI: InChI=1S/C25H26N2S5.C2H6/c1-3-12-28-16(2)22-14-17(8-10-26)24(31-22)20-6-7-21(30-20)25-18(9-11-27)15-23(32-25)19-5-4-13-29-19;1-2/h3-7,12-15H,2,8-11,26-27H2,1H3;1-2H3/b12-3-
• InChIKey: PQXQHFIEXYZNQP-RZDFXPFOSA-N
• XLogP: 9.20
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.90
LogP ≤ 5	9.20
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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane (CID 143976116) is 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is C=C(S/C=C\C)c1cc(CCN)c(-c2ccc(-c3sc(-c4cccs4)cc3CCN)s2)s1.CC.

What is the InChIKey of 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

The InChIKey is PQXQHFIEXYZNQP-RZDFXPFOSA-N. The full InChI is InChI=1S/C25H26N2S5.C2H6/c1-3-12-28-16(2)22-14-17(8-10-26)24(31-22)20-6-7-21(30-20)25-18(9-11-27)15-23(32-25)19-5-4-13-29-19;1-2/h3-7,12-15H,2,8-11,26-27H2,1H3;1-2H3/b12-3-;.

What are the key properties of 2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane?

2-[2-[5-[3-(2-aminoethyl)-5-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane has a molecular weight of 544.90 g/mol, XLogP of 9.20, 10 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-[1-[(Z)-prop-1-enyl]sulfanylethenyl]thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane is sourced from PubChem (CID 143976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).