2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride

C15H17Cl2N3S2 — CID 162390915

About 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride (PubChem CID 162390915) has the molecular formula C15H17Cl2N3S2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
• PubChem CID: 162390915
• Molecular Formula: C15H17Cl2N3S2
• Molecular Weight: 374.36 g/mol
• Exact Mass: 373.02
• IUPAC Name: 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
• SMILES: Cc1c([C@H](C)N)sc2c(NCc3cccs3)cc(Cl)nc12.Cl
• InChI: InChI=1S/C15H16ClN3S2.ClH/c1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10;/h3-6,9H,7,17H2,1-2H3,(H,18,19);1H/t9-;/m0./s1
• InChIKey: VPUFHYJHMJHMBC-FVGYRXGTSA-N
• XLogP: 5.37
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.36
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?

The IUPAC name of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride (CID 162390915) is 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride.

What is the SMILES notation for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?

The canonical SMILES for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride is Cc1c([C@H](C)N)sc2c(NCc3cccs3)cc(Cl)nc12.Cl.

What is the InChIKey of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?

The InChIKey is VPUFHYJHMJHMBC-FVGYRXGTSA-N. The full InChI is InChI=1S/C15H16ClN3S2.ClH/c1-8-13-15(21-14(8)9(2)17)11(6-12(16)19-13)18-7-10-4-3-5-20-10;/h3-6,9H,7,17H2,1-2H3,(H,18,19);1H/t9-;/m0./s1.

What are the key properties of 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride?

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride has a molecular weight of 374.36 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride is sourced from PubChem (CID 162390915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).