5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine

C22H32N3OS3+ — CID 161113281

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine
SMILESCO.NCCc1cccs1.[H+].c1cc2c(s1)CCN(CN1CCc3sccc3C1)C2
InChIInChI=1S/C15H18N2S2.C6H9NS.CH4O/c1-5-16(9-12-3-7-18-14(1)12)11-17-6-2-15-13(10-17)4-8-19-15;7-4-3-6-2-1-5-8-6;1-2/h3-4,7-8H,1-2,5-6,9-11H2;1-2,5H,3-4,7H2;2H,1H3/p+1
InChIKeyUJZCSIOCSDNILE-UHFFFAOYSA-O
MW450.72 g/mol
LogP4.15
Rot. Bonds4

About 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine

5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine (PubChem CID 161113281) has the molecular formula C22H32N3OS3+ and a molecular weight of 450.72 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine
PubChem CID161113281
Molecular FormulaC22H32N3OS3+
Molecular Weight450.72 g/mol
Exact Mass450.17
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine
SMILESCO.NCCc1cccs1.[H+].c1cc2c(s1)CCN(CN1CCc3sccc3C1)C2
InChIInChI=1S/C15H18N2S2.C6H9NS.CH4O/c1-5-16(9-12-3-7-18-14(1)12)11-17-6-2-15-13(10-17)4-8-19-15;7-4-3-6-2-1-5-8-6;1-2/h3-4,7-8H,1-2,5-6,9-11H2;1-2,5H,3-4,7H2;2H,1H3/p+1
InChIKeyUJZCSIOCSDNILE-UHFFFAOYSA-O
XLogP4.15
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111078803
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111259349
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
CID 43530849
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350846
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine (CID 161113281) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine is CO.NCCc1cccs1.[H+].c1cc2c(s1)CCN(CN1CCc3sccc3C1)C2.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine?
The InChIKey is UJZCSIOCSDNILE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2S2.C6H9NS.CH4O/c1-5-16(9-12-3-7-18-14(1)12)11-17-6-2-15-13(10-17)4-8-19-15;7-4-3-6-2-1-5-8-6;1-2/h3-4,7-8H,1-2,5-6,9-11H2;1-2,5H,3-4,7H2;2H,1H3/p+1.
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine has a molecular weight of 450.72 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;methanol;2-thiophen-2-ylethanamine is sourced from PubChem (CID 161113281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).