1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine

C20H30N4OS — CID 111588591

IUPAC1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(CC)n1)NCCc1ccc(C)c(OC)c1
InChIInChI=1S/C20H30N4OS/c1-5-19-24-17(14-26-19)10-12-23-20(21-6-2)22-11-9-16-8-7-15(3)18(13-16)25-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H2,21,22,23)
InChIKeyQOZMJDAJCXDZDL-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.36
Rot. Bonds9

About 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine

1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine (PubChem CID 111588591) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
PubChem CID111588591
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(CC)n1)NCCc1ccc(C)c(OC)c1
InChIInChI=1S/C20H30N4OS/c1-5-19-24-17(14-26-19)10-12-23-20(21-6-2)22-11-9-16-8-7-15(3)18(13-16)25-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H2,21,22,23)
InChIKeyQOZMJDAJCXDZDL-UHFFFAOYSA-N
XLogP3.36
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.36
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

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111214141
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111339587
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111215264
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111170434
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
CID 111589726
1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111589309
3-[2-[[N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111633192
methyl 3-[[ethylamino-[2-(3-methoxy-4-methylphenyl)ethylamino]methylidene]amino]propanoate;hydroiodide
CID 111588964
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111589725
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine
CID 111933421
1-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111244445
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine
CID 111588633

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine (CID 111588591) is 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine is CCN/C(=N\CCc1csc(CC)n1)NCCc1ccc(C)c(OC)c1.
What is the InChIKey of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine?
The InChIKey is QOZMJDAJCXDZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-5-19-24-17(14-26-19)10-12-23-20(21-6-2)22-11-9-16-8-7-15(3)18(13-16)25-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine?
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine has a molecular weight of 374.55 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 111588591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).