2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile

C80H84BrCl5N16OS9 — CID 165051482

About 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile (PubChem CID 165051482) has the molecular formula C80H84BrCl5N16OS9 and a molecular weight of 1831.43 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
• PubChem CID: 165051482
• Molecular Formula: C80H84BrCl5N16OS9
• Molecular Weight: 1831.43 g/mol
• Exact Mass: 1826.21
• IUPAC Name: 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile
• SMILES: C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C1CC1.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@H](C)N)sc2c(NCc3cccs3)cc(C#N)nc12.Cc1c([C@H](C)N)sc2c(NCc3cccs3)cc(Cl)nc12
• InChI: InChI=1S/C18H20ClN3OS.C17H18N4S2.C15H15BrClN3S2.C15H15Cl2N3S2.C15H16ClN3S2/c1-10(20)7-14-16(11-4-5-11)17-18(24-14)13(8-15(19)22-17)21-9-12-3-2-6-23-12;1-10(19)6-15-11(2)16-17(23-15)14(7-12(8-18)21-16)20-9-13-4-3-5-22-13;1-8(18)5-11-13(16)14-15(22-11)10(6-12(17)20-14)19-7-9-3-2-4-21-9;1-8(18)5-11-13(17)14-15(22-11)10(6-12(16)20-14)19-7-9-3-2-4-21-9;1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10/h2-3,6,8,10-11H,4-5,7,9,20H2,1H3,(H,21,22);3-5,7,10H,6,9,19H2,1-2H3,(H,20,21);2*2-4,6,8H,5,7,18H2,1H3,(H,19,20);3-6,9H,7,17H2,1-2H3,(H,18,19)/t2*10-;2*8-;9-/m00000/s1
• InChIKey: PSQDVDVRMOHIFS-NEEAMGMDSA-N
• XLogP: 24.35
• TPSA: 291.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.43
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	10
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-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile (CID 165051482) is 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile.

What is the SMILES notation for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The canonical SMILES for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile is C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C1CC1.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@H](C)N)sc2c(NCc3cccs3)cc(C#N)nc12.Cc1c([C@H](C)N)sc2c(NCc3cccs3)cc(Cl)nc12.

What is the InChIKey of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

The InChIKey is PSQDVDVRMOHIFS-NEEAMGMDSA-N. The full InChI is InChI=1S/C18H20ClN3OS.C17H18N4S2.C15H15BrClN3S2.C15H15Cl2N3S2.C15H16ClN3S2/c1-10(20)7-14-16(11-4-5-11)17-18(24-14)13(8-15(19)22-17)21-9-12-3-2-6-23-12;1-10(19)6-15-11(2)16-17(23-15)14(7-12(8-18)21-16)20-9-13-4-3-5-22-13;1-8(18)5-11-13(16)14-15(22-11)10(6-12(17)20-14)19-7-9-3-2-4-21-9;1-8(18)5-11-13(17)14-15(22-11)10(6-12(16)20-14)19-7-9-3-2-4-21-9;1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10/h2-3,6,8,10-11H,4-5,7,9,20H2,1H3,(H,21,22);3-5,7,10H,6,9,19H2,1-2H3,(H,20,21);2*2-4,6,8H,5,7,18H2,1H3,(H,19,20);3-6,9H,7,17H2,1-2H3,(H,18,19)/t2*10-;2*8-;9-/m00000/s1.

What are the key properties of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile?

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile has a molecular weight of 1831.43 g/mol, XLogP of 24.35, 25 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-methyl-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 165051482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).