1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

C19H26N4OS — CID 111027009

IUPAC1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H26N4OS/c1-14-10-15(2)12-16(11-14)22-19(20)21-13-17(18-4-3-9-25-18)23-5-7-24-8-6-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H3,20,21,22)
InChIKeyJKAHPOYKHVIIQX-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.17
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111027009) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111027009
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C19H26N4OS/c1-14-10-15(2)12-16(11-14)22-19(20)21-13-17(18-4-3-9-25-18)23-5-7-24-8-6-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H3,20,21,22)
InChIKeyJKAHPOYKHVIIQX-UHFFFAOYSA-N
XLogP3.17
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111027042
1-(4-methylphenyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029850
1-(3-methylphenyl)-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 119142397
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111028252
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 119142402
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)guanidine
CID 111722037
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (CID 111027009) is 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is Cc1cc(C)cc(N/C(N)=N/CC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is JKAHPOYKHVIIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-10-15(2)12-16(11-14)22-19(20)21-13-17(18-4-3-9-25-18)23-5-7-24-8-6-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 358.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111027009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).