bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C75H78Br2Cl6F4N20S10 — CID 165101466

About bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 165101466) has the molecular formula C75H78Br2Cl6F4N20S10 and a molecular weight of 2028.78 g/mol. Its IUPAC name is bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 165101466
• Molecular Formula: C75H78Br2Cl6F4N20S10
• Molecular Weight: 2028.78 g/mol
• Exact Mass: 2022.04
• IUPAC Name: bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: Cc1c(C[C@@H](N)CC(C)C)sc2c(NCc3nccs3)cc(Cl)nc12.Cc1c(C[C@@H](N)CF)sc2c(NCc3nccs3)cc(Cl)nc12.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl
• InChI: InChI=1S/C18H23ClN4S2.C15H16ClFN4S2.2C14H13BrClFN4S2.C14H13Cl2FN4S2/c1-10(2)6-12(20)7-14-11(3)17-18(25-14)13(8-15(19)23-17)22-9-16-21-4-5-24-16;1-8-11(4-9(18)6-17)23-15-10(5-12(16)21-14(8)15)20-7-13-19-2-3-22-13;2*15-12-9(3-7(18)5-17)23-14-8(4-10(16)21-13(12)14)20-6-11-19-1-2-22-11;15-10-4-8(20-6-11-19-1-2-22-11)14-13(21-10)12(16)9(23-14)3-7(18)5-17/h4-5,8,10,12H,6-7,9,20H2,1-3H3,(H,22,23);2-3,5,9H,4,6-7,18H2,1H3,(H,20,21);3*1-2,4,7H,3,5-6,18H2,(H,20,21)/t12-;9-;3*7-/m01111/s1
• InChIKey: YKBKMLRTYFWHEW-OMEUEGEESA-N
• XLogP: 23.16
• TPSA: 319.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.78
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 165101466) is bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

What is the SMILES notation for bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The canonical SMILES for bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is Cc1c(C[C@@H](N)CC(C)C)sc2c(NCc3nccs3)cc(Cl)nc12.Cc1c(C[C@@H](N)CF)sc2c(NCc3nccs3)cc(Cl)nc12.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.N[C@@H](CF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.

What is the InChIKey of bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The InChIKey is YKBKMLRTYFWHEW-OMEUEGEESA-N. The full InChI is InChI=1S/C18H23ClN4S2.C15H16ClFN4S2.2C14H13BrClFN4S2.C14H13Cl2FN4S2/c1-10(2)6-12(20)7-14-11(3)17-18(25-14)13(8-15(19)23-17)22-9-16-21-4-5-24-16;1-8-11(4-9(18)6-17)23-15-10(5-12(16)21-14(8)15)20-7-13-19-2-3-22-13;2*15-12-9(3-7(18)5-17)23-14-8(4-10(16)21-13(12)14)20-6-11-19-1-2-22-11;15-10-4-8(20-6-11-19-1-2-22-11)14-13(21-10)12(16)9(23-14)3-7(18)5-17/h4-5,8,10,12H,6-7,9,20H2,1-3H3,(H,22,23);2-3,5,9H,4,6-7,18H2,1H3,(H,20,21);3*1-2,4,7H,3,5-6,18H2,(H,20,21)/t12-;9-;3*7-/m01111/s1.

What are the key properties of bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 2028.78 g/mol, XLogP of 23.16, 31 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine);2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-amino-4-methylpentyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 165101466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).