1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine

C18H26N4O3S — CID 111792575

IUPAC1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
SMILESCCN/C(=N\CCc1ncc(C)s1)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N4O3S/c1-6-19-18(20-8-7-16-21-11-12(2)26-16)22-13-9-14(23-3)17(25-5)15(10-13)24-4/h9-11H,6-8H2,1-5H3,(H2,19,20,22)
InChIKeyLUJFOBOPDPGALC-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.10
Rot. Bonds8

About 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine

1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine (PubChem CID 111792575) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
PubChem CID111792575
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
SMILESCCN/C(=N\CCc1ncc(C)s1)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N4O3S/c1-6-19-18(20-8-7-16-21-11-12(2)26-16)22-13-9-14(23-3)17(25-5)15(10-13)24-4/h9-11H,6-8H2,1-5H3,(H2,19,20,22)
InChIKeyLUJFOBOPDPGALC-UHFFFAOYSA-N
XLogP3.10
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylguanidine
CID 111792001
1-(3,4-dimethoxyphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111817273
2-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522544
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111795201
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111524987
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827808
1-ethyl-3-heptan-2-yl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111793316
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 109404040
3-[2-[[ethylamino-(3,4,5-trimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111772476
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111987816
3-[2-[[ethylamino-(3,4,5-trimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111772475
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817260

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine (CID 111792575) is 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine is CCN/C(=N\CCc1ncc(C)s1)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The InChIKey is LUJFOBOPDPGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-6-19-18(20-8-7-16-21-11-12(2)26-16)22-13-9-14(23-3)17(25-5)15(10-13)24-4/h9-11H,6-8H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine has a molecular weight of 378.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine is sourced from PubChem (CID 111792575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).