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

C19H28N4OS — CID 111339587

IUPAC1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(CC)n1)NCCc1ccccc1OC
InChIInChI=1S/C19H28N4OS/c1-4-18-23-16(14-25-18)11-13-22-19(20-5-2)21-12-10-15-8-6-7-9-17(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,20,21,22)
InChIKeyBRMGZHBFMYVYMQ-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.05
Rot. Bonds9

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

1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine (PubChem CID 111339587) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
PubChem CID111339587
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(CC)n1)NCCc1ccccc1OC
InChIInChI=1S/C19H28N4OS/c1-4-18-23-16(14-25-18)11-13-22-19(20-5-2)21-12-10-15-8-6-7-9-17(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,20,21,22)
InChIKeyBRMGZHBFMYVYMQ-UHFFFAOYSA-N
XLogP3.05
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.05
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-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216790
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339885
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-(3-methoxy-4-methylphenyl)ethyl]guanidine
CID 111588591
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 110913747
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111339894
1-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-fluorophenyl)methyl]guanidine
CID 111265709
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111831839
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339677
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339946

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine (CID 111339587) is 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine is CCN/C(=N\CCc1csc(CC)n1)NCCc1ccccc1OC.
What is the InChIKey of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine?
The InChIKey is BRMGZHBFMYVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-4-18-23-16(14-25-18)11-13-22-19(20-5-2)21-12-10-15-8-6-7-9-17(15)24-3/h6-9,14H,4-5,10-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine?
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine has a molecular weight of 360.53 g/mol, XLogP of 3.05, 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-(2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111339587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).