ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol

C37H55IN2OS2Si — CID 161382340

IUPACethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol
SMILESCC.CC.CC(c1ccccc1)N1CCc2sccc2C1.CC(c1ccccc1)N1Cc2ccsc2C(O)C1.C[Si](C)(C)I
InChIInChI=1S/C15H17NOS.C15H17NS.C3H9ISi.2C2H6/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-15(13)14(17)10-16;1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;1-5(2,3)4;2*1-2/h2-8,11,14,17H,9-10H2,1H3;2-6,8,10,12H,7,9,11H2,1H3;1-3H3;2*1-2H3
InChIKeyVRWOTNKBDSPOLC-UHFFFAOYSA-N
MW762.98 g/mol
LogP11.53
Rot. Bonds4

About ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol

ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol (PubChem CID 161382340) has the molecular formula C37H55IN2OS2Si and a molecular weight of 762.98 g/mol. Its IUPAC name is ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol.

Molecular Properties

Compound Nameethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol
PubChem CID161382340
Molecular FormulaC37H55IN2OS2Si
Molecular Weight762.98 g/mol
Exact Mass762.26
IUPAC Nameethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol
SMILESCC.CC.CC(c1ccccc1)N1CCc2sccc2C1.CC(c1ccccc1)N1Cc2ccsc2C(O)C1.C[Si](C)(C)I
InChIInChI=1S/C15H17NOS.C15H17NS.C3H9ISi.2C2H6/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-15(13)14(17)10-16;1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;1-5(2,3)4;2*1-2/h2-8,11,14,17H,9-10H2,1H3;2-6,8,10,12H,7,9,11H2,1H3;1-3H3;2*1-2H3
InChIKeyVRWOTNKBDSPOLC-UHFFFAOYSA-N
XLogP11.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.98
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol?
The IUPAC name of ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol (CID 161382340) is ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol.
What is the SMILES notation for ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol?
The canonical SMILES for ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol is CC.CC.CC(c1ccccc1)N1CCc2sccc2C1.CC(c1ccccc1)N1Cc2ccsc2C(O)C1.C[Si](C)(C)I.
What is the InChIKey of ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol?
The InChIKey is VRWOTNKBDSPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.C15H17NS.C3H9ISi.2C2H6/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-18-15(13)14(17)10-16;1-12(13-5-3-2-4-6-13)16-9-7-15-14(11-16)8-10-17-15;1-5(2,3)4;2*1-2/h2-8,11,14,17H,9-10H2,1H3;2-6,8,10,12H,7,9,11H2,1H3;1-3H3;2*1-2H3.
What are the key properties of ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol?
ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol has a molecular weight of 762.98 g/mol, XLogP of 11.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iodo(trimethyl)silane;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-ol is sourced from PubChem (CID 161382340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).