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

C17H20ClN3S2 — CID 162390977

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

2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 162390977) has the molecular formula C17H20ClN3S2 and a molecular weight of 365.96 g/mol. Its IUPAC name is 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 162390977
• Molecular Formula: C17H20ClN3S2
• Molecular Weight: 365.96 g/mol
• Exact Mass: 365.08
• IUPAC Name: 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: CC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C
• InChI: InChI=1S/C17H20ClN3S2/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12/h4-6,8,11H,3,7,9,19H2,1-2H3,(H,20,21)/t11-/m0/s1
• InChIKey: FLQCAFCNKQQYEZ-NSHDSACASA-N
• XLogP: 5.21
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.96
LogP ≤ 5	5.21
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-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 162390977) is 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-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-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The canonical SMILES for 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is CC[C@H](N)Cc1sc2c(NCc3cccs3)cc(Cl)nc2c1C.

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

The InChIKey is FLQCAFCNKQQYEZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H20ClN3S2/c1-3-11(19)7-14-10(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12/h4-6,8,11H,3,7,9,19H2,1-2H3,(H,20,21)/t11-/m0/s1.

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

2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 365.96 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 162390977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).