5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane

C36H38Cl2N2S2Si — CID 160980137

About 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane (PubChem CID 160980137) has the molecular formula C36H38Cl2N2S2Si and a molecular weight of 661.84 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane
• PubChem CID: 160980137
• Molecular Formula: C36H38Cl2N2S2Si
• Molecular Weight: 661.84 g/mol
• Exact Mass: 660.16
• IUPAC Name: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane
• SMILES: C[Si](C)(c1ccccc1)c1cc2c(s1)CCN(Cc1ccccc1Cl)C2.Clc1ccccc1CN1CCc2sccc2C1
• InChI: InChI=1S/C22H24ClNSSi.C14H14ClNS/c1-26(2,19-9-4-3-5-10-19)22-14-18-16-24(13-12-21(18)25-22)15-17-8-6-7-11-20(17)23;15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h3-11,14H,12-13,15-16H2,1-2H3;1-4,6,8H,5,7,9-10H2
• InChIKey: SZKDSXOXUSWAFR-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.84
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane?

The IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane (CID 160980137) is 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane.

What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane?

The canonical SMILES for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)c1cc2c(s1)CCN(Cc1ccccc1Cl)C2.Clc1ccccc1CN1CCc2sccc2C1.

What is the InChIKey of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane?

The InChIKey is SZKDSXOXUSWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNSSi.C14H14ClNS/c1-26(2,19-9-4-3-5-10-19)22-14-18-16-24(13-12-21(18)25-22)15-17-8-6-7-11-20(17)23;15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h3-11,14H,12-13,15-16H2,1-2H3;1-4,6,8H,5,7,9-10H2.

What are the key properties of 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane?

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane has a molecular weight of 661.84 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 160980137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).