2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C17H17Cl2N3S2 — CID 170644885

About 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 170644885) has the molecular formula C17H17Cl2N3S2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 170644885
• Molecular Formula: C17H17Cl2N3S2
• Molecular Weight: 398.38 g/mol
• Exact Mass: 397.02
• IUPAC Name: 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: N[C@@H]1CCC[C@H]1c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl
• InChI: InChI=1S/C17H17Cl2N3S2/c18-13-7-12(21-8-9-3-2-6-23-9)17-15(22-13)14(19)16(24-17)10-4-1-5-11(10)20/h2-3,6-7,10-11H,1,4-5,8,20H2,(H,21,22)/t10-,11-/m1/s1
• InChIKey: WSEDLLFVGRJYIB-GHMZBOCLSA-N
• XLogP: 5.87
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.38
LogP ≤ 5	5.87
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-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 170644885) is 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

What is the SMILES notation for 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The canonical SMILES for 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is N[C@@H]1CCC[C@H]1c1sc2c(NCc3cccs3)cc(Cl)nc2c1Cl.

What is the InChIKey of 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The InChIKey is WSEDLLFVGRJYIB-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H17Cl2N3S2/c18-13-7-12(21-8-9-3-2-6-23-9)17-15(22-13)14(19)16(24-17)10-4-1-5-11(10)20/h2-3,6-7,10-11H,1,4-5,8,20H2,(H,21,22)/t10-,11-/m1/s1.

What are the key properties of 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 398.38 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170644885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).