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

C16H24N4OS — CID 111098035

IUPAC1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
SMILESN/C(=N\CC(=O)N1CCc2sccc2C1)NC1CCCCC1
InChIInChI=1S/C16H24N4OS/c17-16(19-13-4-2-1-3-5-13)18-10-15(21)20-8-6-14-12(11-20)7-9-22-14/h7,9,13H,1-6,8,10-11H2,(H3,17,18,19)
InChIKeyKEQCWHKEEIFTAW-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.87
Rot. Bonds3

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

1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine (PubChem CID 111098035) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
PubChem CID111098035
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
SMILESN/C(=N\CC(=O)N1CCc2sccc2C1)NC1CCCCC1
InChIInChI=1S/C16H24N4OS/c17-16(19-13-4-2-1-3-5-13)18-10-15(21)20-8-6-14-12(11-20)7-9-22-14/h7,9,13H,1-6,8,10-11H2,(H3,17,18,19)
InChIKeyKEQCWHKEEIFTAW-UHFFFAOYSA-N
XLogP1.87
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110958668
1-cyclopentyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethylguanidine
CID 110991915
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 49351109
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111098040
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
CID 111098093
N-(1-acetylpiperidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 138994042
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclohexylguanidine
CID 111093138
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910381

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine (CID 111098035) is 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine is N/C(=N\CC(=O)N1CCc2sccc2C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine?
The InChIKey is KEQCWHKEEIFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c17-16(19-13-4-2-1-3-5-13)18-10-15(21)20-8-6-14-12(11-20)7-9-22-14/h7,9,13H,1-6,8,10-11H2,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine?
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine has a molecular weight of 320.46 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine is sourced from PubChem (CID 111098035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).