(2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine

C78H82Cl7F4N17OS10 — CID 165013836

About (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine

(2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 165013836) has the molecular formula C78H82Cl7F4N17OS10 and a molecular weight of 1918.46 g/mol. Its IUPAC name is (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
• PubChem CID: 165013836
• Molecular Formula: C78H82Cl7F4N17OS10
• Molecular Weight: 1918.46 g/mol
• Exact Mass: 1913.19
• IUPAC Name: (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
• SMILES: C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.C[C@H](N)C(O)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@@H](N)[C@H](C)F)sc2c(NCc3cccs3)cc(Cl)nc12.Cc1c(C[C@H](C)N)sc2c(NCc3ncc(F)s3)cc(Cl)nc12.Cc1c(C[C@H](N)[C@@H](C)F)sc2c(NCc3nccs3)cc(Cl)nc12
• InChI: InChI=1S/C17H19ClFN3S2.C16H18ClFN4S2.C15H14Cl2FN3S2.C15H15Cl2N3OS2.C15H16ClFN4S2/c1-9-14(6-12(20)10(2)19)24-17-13(7-15(18)22-16(9)17)21-8-11-4-3-5-23-11;1-8-12(5-10(19)9(2)18)24-16-11(6-13(17)22-15(8)16)21-7-14-20-3-4-23-14;1-7(19)12(18)15-11(17)13-14(23-15)9(5-10(16)21-13)20-6-8-3-2-4-22-8;1-7(18)13(21)15-11(17)12-14(23-15)9(5-10(16)20-12)19-6-8-3-2-4-22-8;1-7(18)3-10-8(2)14-15(22-10)9(4-11(16)21-14)19-6-13-20-5-12(17)23-13/h3-5,7,10,12H,6,8,20H2,1-2H3,(H,21,22);3-4,6,9-10H,5,7,19H2,1-2H3,(H,21,22);2-5,7,12H,6,19H2,1H3,(H,20,21);2-5,7,13,21H,6,18H2,1H3,(H,19,20);4-5,7H,3,6,18H2,1-2H3,(H,19,21)/t10-,12+;9-,10+;7-,12?;7-,13?;7-/m01000/s1
• InChIKey: KCJHAKBCHIOASI-KPPDOAHCSA-N
• XLogP: 24.36
• TPSA: 300.71 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.46
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?

The IUPAC name of (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine (CID 165013836) is (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine.

What is the SMILES notation for (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?

The canonical SMILES for (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine is C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.C[C@H](N)C(O)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@@H](N)[C@H](C)F)sc2c(NCc3cccs3)cc(Cl)nc12.Cc1c(C[C@H](C)N)sc2c(NCc3ncc(F)s3)cc(Cl)nc12.Cc1c(C[C@H](N)[C@@H](C)F)sc2c(NCc3nccs3)cc(Cl)nc12.

What is the InChIKey of (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?

The InChIKey is KCJHAKBCHIOASI-KPPDOAHCSA-N. The full InChI is InChI=1S/C17H19ClFN3S2.C16H18ClFN4S2.C15H14Cl2FN3S2.C15H15Cl2N3OS2.C15H16ClFN4S2/c1-9-14(6-12(20)10(2)19)24-17-13(7-15(18)22-16(9)17)21-8-11-4-3-5-23-11;1-8-12(5-10(19)9(2)18)24-16-11(6-13(17)22-15(8)16)21-7-14-20-3-4-23-14;1-7(19)12(18)15-11(17)13-14(23-15)9(5-10(16)21-13)20-6-8-3-2-4-22-8;1-7(18)13(21)15-11(17)12-14(23-15)9(5-10(16)20-12)19-6-8-3-2-4-22-8;1-7(18)3-10-8(2)14-15(22-10)9(4-11(16)21-14)19-6-13-20-5-12(17)23-13/h3-5,7,10,12H,6,8,20H2,1-2H3,(H,21,22);3-4,6,9-10H,5,7,19H2,1-2H3,(H,21,22);2-5,7,12H,6,19H2,1H3,(H,20,21);2-5,7,13,21H,6,18H2,1H3,(H,19,20);4-5,7H,3,6,18H2,1-2H3,(H,19,21)/t10-,12+;9-,10+;7-,12?;7-,13?;7-/m01000/s1.

What are the key properties of (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine?

(2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 1918.46 g/mol, XLogP of 24.36, 27 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-1-[3,5-dichloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[(2S,3R)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R,3S)-2-amino-3-fluorobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-1-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-N-[(5-fluoro-1,3-thiazol-2-yl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 165013836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).