2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C64H66BrCl6F3N14OS7 — CID 164968049

About 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 164968049) has the molecular formula C64H66BrCl6F3N14OS7 and a molecular weight of 1621.41 g/mol. Its IUPAC name is 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 164968049
• Molecular Formula: C64H66BrCl6F3N14OS7
• Molecular Weight: 1621.41 g/mol
• Exact Mass: 1616.09
• IUPAC Name: 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: C[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C1CC1.N[C@@H](CCF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.N[C@@H](CCF)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.N[C@@H](CCF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl
• InChI: InChI=1S/C17H19ClN4S2.C16H16BrClFN3OS.C16H16Cl2FN3S2.C15H15Cl2FN4S2/c1-9(19)6-12-15(10-2-3-10)16-17(24-12)11(7-13(18)22-16)21-8-14-20-4-5-23-14;17-14-12(6-9(20)3-4-19)24-16-11(7-13(18)22-15(14)16)21-8-10-2-1-5-23-10;17-13-7-11(21-8-10-2-1-5-23-10)16-15(22-13)14(18)12(24-16)6-9(20)3-4-19;16-11-6-9(21-7-12-20-3-4-23-12)15-14(22-11)13(17)10(24-15)5-8(19)1-2-18/h4-5,7,9-10H,2-3,6,8,19H2,1H3,(H,21,22);2*1-2,5,7,9H,3-4,6,8,20H2,(H,21,22);3-4,6,8H,1-2,5,7,19H2,(H,21,22)/t3*9-;8-/m0000/s1
• InChIKey: CSXIUVGEVYALBU-DWEPPHHLSA-N
• XLogP: 20.34
• TPSA: 242.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.41
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 164968049) is 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

What is the SMILES notation for 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The canonical SMILES for 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is C[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C1CC1.N[C@@H](CCF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.N[C@@H](CCF)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.N[C@@H](CCF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.

What is the InChIKey of 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The InChIKey is CSXIUVGEVYALBU-DWEPPHHLSA-N. The full InChI is InChI=1S/C17H19ClN4S2.C16H16BrClFN3OS.C16H16Cl2FN3S2.C15H15Cl2FN4S2/c1-9(19)6-12-15(10-2-3-10)16-17(24-12)11(7-13(18)22-16)21-8-14-20-4-5-23-14;17-14-12(6-9(20)3-4-19)24-16-11(7-13(18)22-15(14)16)21-8-10-2-1-5-23-10;17-13-7-11(21-8-10-2-1-5-23-10)16-15(22-13)14(18)12(24-16)6-9(20)3-4-19;16-11-6-9(21-7-12-20-3-4-23-12)15-14(22-11)13(17)10(24-15)5-8(19)1-2-18/h4-5,7,9-10H,2-3,6,8,19H2,1H3,(H,21,22);2*1-2,5,7,9H,3-4,6,8,20H2,(H,21,22);3-4,6,8H,1-2,5,7,19H2,(H,21,22)/t3*9-;8-/m0000/s1.

What are the key properties of 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 1621.41 g/mol, XLogP of 20.34, 27 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-amino-4-fluorobutyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-5-chloro-3-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 164968049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).