2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

C83H84Br2Cl3N19O2S10 — CID 165098746

About 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (PubChem CID 165098746) has the molecular formula C83H84Br2Cl3N19O2S10 and a molecular weight of 1966.55 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
• PubChem CID: 165098746
• Molecular Formula: C83H84Br2Cl3N19O2S10
• Molecular Weight: 1966.55 g/mol
• Exact Mass: 1961.17
• IUPAC Name: 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
• SMILES: CSC[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.CSC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1C#N.[C-]#[N+]C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
• InChI: InChI=1S/C17H20ClN3OS2.C17H20ClN3S3.C17H15N5S2.C16H14BrClN4OS.C16H15BrN4S2/c1-10-14(6-11(19)9-23-2)24-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-22-12;1-10-14(6-11(19)9-22-2)24-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-23-12;1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12;1-20-7-9(19)5-12-14(17)15-16(24-12)11(6-13(18)22-15)21-8-10-3-2-4-23-10;1-9(19)5-13-14(17)15-16(23-13)12(6-10(7-18)21-15)20-8-11-3-2-4-22-11/h2*3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);2-4,6,10H,5,9,20H2,1H3,(H,21,22);2-4,6,9H,5,7-8,19H2,(H,21,22);2-4,6,9H,5,8,19H2,1H3,(H,20,21)/t2*11-;10-;2*9-/m11010/s1
• InChIKey: XYNLGWKAOIMACF-QONKVBPSSA-N
• XLogP: 22.66
• TPSA: 356.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.55
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The IUPAC name of 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (CID 165098746) is 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.

What is the SMILES notation for 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The canonical SMILES for 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is CSC[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.CSC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3cccs3)cc(C#N)nc2c1C#N.[C-]#[N+]C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.

What is the InChIKey of 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The InChIKey is XYNLGWKAOIMACF-QONKVBPSSA-N. The full InChI is InChI=1S/C17H20ClN3OS2.C17H20ClN3S3.C17H15N5S2.C16H14BrClN4OS.C16H15BrN4S2/c1-10-14(6-11(19)9-23-2)24-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-22-12;1-10-14(6-11(19)9-22-2)24-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-23-12;1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12;1-20-7-9(19)5-12-14(17)15-16(24-12)11(6-13(18)22-15)21-8-10-3-2-4-23-10;1-9(19)5-13-14(17)15-16(23-13)12(6-10(7-18)21-15)20-8-11-3-2-4-22-11/h2*3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);2-4,6,10H,5,9,20H2,1H3,(H,21,22);2-4,6,9H,5,7-8,19H2,(H,21,22);2-4,6,9H,5,8,19H2,1H3,(H,20,21)/t2*11-;10-;2*9-/m11010/s1.

What are the key properties of 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile has a molecular weight of 1966.55 g/mol, XLogP of 22.66, 30 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-amino-3-isocyanopropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-methylsulfanylpropyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 165098746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).