1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C17H29N5OS — CID 111078805

IUPAC1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCN1CCc2sccc2C1
InChIInChI=1S/C17H29N5OS/c18-17(19-4-1-6-21-9-11-23-12-10-21)20-5-8-22-7-2-16-15(14-22)3-13-24-16/h3,13H,1-2,4-12,14H2,(H3,18,19,20)
InChIKeyWWKJNVCEZGTGSJ-UHFFFAOYSA-N
MW351.52 g/mol
LogP0.73
Rot. Bonds7

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111078805) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111078805
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCN1CCc2sccc2C1
InChIInChI=1S/C17H29N5OS/c18-17(19-4-1-6-21-9-11-23-12-10-21)20-5-8-22-7-2-16-15(14-22)3-13-24-16/h3,13H,1-2,4-12,14H2,(H3,18,19,20)
InChIKeyWWKJNVCEZGTGSJ-UHFFFAOYSA-N
XLogP0.73
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111078803
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111060911
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111078789
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111078805) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCN1CCOCC1)NCCN1CCc2sccc2C1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is WWKJNVCEZGTGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c18-17(19-4-1-6-21-9-11-23-12-10-21)20-5-8-22-7-2-16-15(14-22)3-13-24-16/h3,13H,1-2,4-12,14H2,(H3,18,19,20).
What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 351.52 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111078805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).