2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C78H83Cl8F2N17OS9 — CID 164960460

About 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 164960460) has the molecular formula C78H83Cl8F2N17OS9 and a molecular weight of 1884.86 g/mol. Its IUPAC name is 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 164960460
• Molecular Formula: C78H83Cl8F2N17OS9
• Molecular Weight: 1884.86 g/mol
• Exact Mass: 1879.19
• IUPAC Name: 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: CC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.CC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C.CC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@@H](N)CF)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@@H](CF)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl
• InChI: InChI=1S/C16H17Cl2N3S2.C16H17ClFN3OS.C16H19ClN4S2.C15H14Cl2FN3S2.C15H16Cl2N4S2/c1-2-9(19)6-12-14(18)15-16(23-12)11(7-13(17)21-15)20-8-10-4-3-5-22-10;1-9-13(5-10(19)7-18)23-16-12(6-14(17)21-15(9)16)20-8-11-3-2-4-22-11;1-3-10(18)6-12-9(2)15-16(23-12)11(7-13(17)21-15)20-8-14-19-4-5-22-14;16-12-5-10(20-7-9-2-1-3-22-9)15-14(21-12)13(17)11(23-15)4-8(19)6-18;1-2-8(18)5-10-13(17)14-15(23-10)9(6-11(16)21-14)20-7-12-19-3-4-22-12/h3-5,7,9H,2,6,8,19H2,1H3,(H,20,21);2-4,6,10H,5,7-8,19H2,1H3,(H,20,21);4-5,7,10H,3,6,8,18H2,1-2H3,(H,20,21);1-3,5,8H,4,6-7,19H2,(H,20,21);3-4,6,8H,2,5,7,18H2,1H3,(H,20,21)/t9-;2*10-;2*8-/m01010/s1
• InChIKey: BTOMRCQRCKTHFI-UZEDHEDUSA-N
• XLogP: 24.53
• TPSA: 293.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.86
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 164960460) is 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

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

The canonical SMILES for 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is CC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.CC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1C.CC[C@H](N)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.Cc1c(C[C@@H](N)CF)sc2c(NCc3ccco3)cc(Cl)nc12.N[C@@H](CF)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.

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

The InChIKey is BTOMRCQRCKTHFI-UZEDHEDUSA-N. The full InChI is InChI=1S/C16H17Cl2N3S2.C16H17ClFN3OS.C16H19ClN4S2.C15H14Cl2FN3S2.C15H16Cl2N4S2/c1-2-9(19)6-12-14(18)15-16(23-12)11(7-13(17)21-15)20-8-10-4-3-5-22-10;1-9-13(5-10(19)7-18)23-16-12(6-14(17)21-15(9)16)20-8-11-3-2-4-22-11;1-3-10(18)6-12-9(2)15-16(23-12)11(7-13(17)21-15)20-8-14-19-4-5-22-14;16-12-5-10(20-7-9-2-1-3-22-9)15-14(21-12)13(17)11(23-15)4-8(19)6-18;1-2-8(18)5-10-13(17)14-15(23-10)9(6-11(16)21-14)20-7-12-19-3-4-22-12/h3-5,7,9H,2,6,8,19H2,1H3,(H,20,21);2-4,6,10H,5,7-8,19H2,1H3,(H,20,21);4-5,7,10H,3,6,8,18H2,1-2H3,(H,20,21);1-3,5,8H,4,6-7,19H2,(H,20,21);3-4,6,8H,2,5,7,18H2,1H3,(H,20,21)/t9-;2*10-;2*8-/m01010/s1.

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

2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 1884.86 g/mol, XLogP of 24.53, 30 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminobutyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 164960460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).