2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)

C78H86Cl5N15O6S5 — CID 164990727

About 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)

2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine) (PubChem CID 164990727) has the molecular formula C78H86Cl5N15O6S5 and a molecular weight of 1667.24 g/mol. Its IUPAC name is 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine).

Molecular Properties

• Compound Name: 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)
• PubChem CID: 164990727
• Molecular Formula: C78H86Cl5N15O6S5
• Molecular Weight: 1667.24 g/mol
• Exact Mass: 1663.39
• IUPAC Name: 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)
• SMILES: CC[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.C[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.C[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.Cc1c(C[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1
• InChI: InChI=1S/C17H20ClN3OS.C16H18ClN3OS.C15H16ClN3O2S.2C15H16ClN3OS/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;1-9(18)6-13-10(2)15-16(22-13)12(7-14(17)20-15)19-8-11-4-3-5-21-11;16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20;2*1-9(17)5-11-6-13-15(21-11)12(7-14(16)19-13)18-8-10-3-2-4-20-10/h4-6,8,11H,3,7,9,19H2,1-2H3,(H,20,21);3-5,7,9H,6,8,18H2,1-2H3,(H,19,20);1-3,5-6,9,20H,4,7-8,17H2,(H,18,19);2*2-4,6-7,9H,5,8,17H2,1H3,(H,18,19)/t11-;4*9-/m00100/s1
• InChIKey: GUXCUYHARJUMOR-MAJDUDFHSA-N
• XLogP: 20.20
• TPSA: 340.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.24
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)?

The IUPAC name of 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine) (CID 164990727) is 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine).

What is the SMILES notation for 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)?

The canonical SMILES for 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine) is CC[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.C[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.C[C@H](N)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.Cc1c(C[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@@H](CO)Cc1cc2nc(Cl)cc(NCc3ccco3)c2s1.

What is the InChIKey of 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)?

The InChIKey is GUXCUYHARJUMOR-MAJDUDFHSA-N. The full InChI is InChI=1S/C17H20ClN3OS.C16H18ClN3OS.C15H16ClN3O2S.2C15H16ClN3OS/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;1-9(18)6-13-10(2)15-16(22-13)12(7-14(17)20-15)19-8-11-4-3-5-21-11;16-14-6-12(18-7-10-2-1-3-21-10)15-13(19-14)5-11(22-15)4-9(17)8-20;2*1-9(17)5-11-6-13-15(21-11)12(7-14(16)19-13)18-8-10-3-2-4-20-10/h4-6,8,11H,3,7,9,19H2,1-2H3,(H,20,21);3-5,7,9H,6,8,18H2,1-2H3,(H,19,20);1-3,5-6,9,20H,4,7-8,17H2,(H,18,19);2*2-4,6-7,9H,5,8,17H2,1H3,(H,18,19)/t11-;4*9-/m00100/s1.

What are the key properties of 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine)?

2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine) has a molecular weight of 1667.24 g/mol, XLogP of 20.20, 27 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-aminobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;(2R)-2-amino-3-[5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-[(2S)-2-aminopropyl]-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine) is sourced from PubChem (CID 164990727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).