2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C19H22ClN3S2 — CID 170643905

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

2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 170643905) has the molecular formula C19H22ClN3S2 and a molecular weight of 391.99 g/mol. Its IUPAC name is 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• PubChem CID: 170643905
• Molecular Formula: C19H22ClN3S2
• Molecular Weight: 391.99 g/mol
• Exact Mass: 391.09
• IUPAC Name: 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
• SMILES: Cc1c([C@@H]2CCCC[C@H]2N)sc2c(NCc3cccs3)cc(Cl)nc12
• InChI: InChI=1S/C19H22ClN3S2/c1-11-17-19(25-18(11)13-6-2-3-7-14(13)21)15(9-16(20)23-17)22-10-12-5-4-8-24-12/h4-5,8-9,13-14H,2-3,6-7,10,21H2,1H3,(H,22,23)/t13-,14-/m1/s1
• InChIKey: QXXOHXVFJMURIU-ZIAGYGMSSA-N
• XLogP: 5.92
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.99
LogP ≤ 5	5.92
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-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?

The IUPAC name of 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 170643905) is 2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

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

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

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

The InChIKey is QXXOHXVFJMURIU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22ClN3S2/c1-11-17-19(25-18(11)13-6-2-3-7-14(13)21)15(9-16(20)23-17)22-10-12-5-4-8-24-12/h4-5,8-9,13-14H,2-3,6-7,10,21H2,1H3,(H,22,23)/t13-,14-/m1/s1.

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

2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 391.99 g/mol, XLogP of 5.92, 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-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170643905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).