2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol

C81H90Cl5N13O8S5 — CID 165019142

About 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol

2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol (PubChem CID 165019142) has the molecular formula C81H90Cl5N13O8S5 and a molecular weight of 1711.29 g/mol. Its IUPAC name is 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
• PubChem CID: 165019142
• Molecular Formula: C81H90Cl5N13O8S5
• Molecular Weight: 1711.29 g/mol
• Exact Mass: 1707.41
• IUPAC Name: 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol
• SMILES: Cc1c(C(C)(O)CO)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CO)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12
• InChI: InChI=1S/C17H20ClN3OS.2C16H18ClN3OS.C16H17ClN2O3S.C16H17ClN2O2S/c1-9(11(3)19)16-10(2)15-17(23-16)13(7-14(18)21-15)20-8-12-5-4-6-22-12;2*1-9(7-18)15-10(2)14-16(22-15)12(6-13(17)20-14)19-8-11-4-3-5-21-11;1-9-13-14(23-15(9)16(2,21)8-20)11(6-12(17)19-13)18-7-10-4-3-5-22-10;1-9(8-20)15-10(2)14-16(22-15)12(6-13(17)19-14)18-7-11-4-3-5-21-11/h4-7,9,11H,8,19H2,1-3H3,(H,20,21);2*3-6,9H,7-8,18H2,1-2H3,(H,19,20);3-6,20-21H,7-8H2,1-2H3,(H,18,19);3-6,9,20H,7-8H2,1-2H3,(H,18,19)/t9?,11-;;;;/m0..../s1
• InChIKey: KWXRTLMESVVYKN-MJOAFRSMSA-N
• XLogP: 22.19
• TPSA: 329.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1711.29
LogP ≤ 5	22.19
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-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?

The IUPAC name of 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol (CID 165019142) is 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol.

What is the SMILES notation for 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?

The canonical SMILES for 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol is Cc1c(C(C)(O)CO)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CN)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)CO)sc2c(NCc3ccco3)cc(Cl)nc12.Cc1c(C(C)[C@H](C)N)sc2c(NCc3ccco3)cc(Cl)nc12.

What is the InChIKey of 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?

The InChIKey is KWXRTLMESVVYKN-MJOAFRSMSA-N. The full InChI is InChI=1S/C17H20ClN3OS.2C16H18ClN3OS.C16H17ClN2O3S.C16H17ClN2O2S/c1-9(11(3)19)16-10(2)15-17(23-16)13(7-14(18)21-15)20-8-12-5-4-6-22-12;2*1-9(7-18)15-10(2)14-16(22-15)12(6-13(17)20-14)19-8-11-4-3-5-21-11;1-9-13-14(23-15(9)16(2,21)8-20)11(6-12(17)19-13)18-7-10-4-3-5-22-10;1-9(8-20)15-10(2)14-16(22-15)12(6-13(17)19-14)18-7-11-4-3-5-21-11/h4-7,9,11H,8,19H2,1-3H3,(H,20,21);2*3-6,9H,7-8,18H2,1-2H3,(H,19,20);3-6,20-21H,7-8H2,1-2H3,(H,18,19);3-6,9,20H,7-8H2,1-2H3,(H,18,19)/t9?,11-;;;;/m0..../s1.

What are the key properties of 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol?

2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol has a molecular weight of 1711.29 g/mol, XLogP of 22.19, 25 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-aminobutan-2-yl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;bis(2-(1-aminopropan-2-yl)-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine);2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propane-1,2-diol;2-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 165019142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).