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

C17H24N4S — CID 111090499

IUPAC2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2nc(CC)c(C)s2)c1
InChIInChI=1S/C17H24N4S/c1-4-13-7-6-8-14(11-13)20-17(18)19-10-9-16-21-15(5-2)12(3)22-16/h6-8,11H,4-5,9-10H2,1-3H3,(H3,18,19,20)
InChIKeyKAHBQNVYKQIQCL-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.55
Rot. Bonds6

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

2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine (PubChem CID 111090499) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
PubChem CID111090499
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CCc2nc(CC)c(C)s2)c1
InChIInChI=1S/C17H24N4S/c1-4-13-7-6-8-14(11-13)20-17(18)19-10-9-16-21-15(5-2)12(3)22-16/h6-8,11H,4-5,9-10H2,1-3H3,(H3,18,19,20)
InChIKeyKAHBQNVYKQIQCL-UHFFFAOYSA-N
XLogP3.55
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.55
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'}

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Related Compounds

2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111090512
1-(3,5-dimethylphenyl)-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111090472
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111802467
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030708
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111817462
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 122099352
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine;hydroiodide
CID 109460211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine (CID 111090499) is 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/CCc2nc(CC)c(C)s2)c1.
What is the InChIKey of 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is KAHBQNVYKQIQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-4-13-7-6-8-14(11-13)20-17(18)19-10-9-16-21-15(5-2)12(3)22-16/h6-8,11H,4-5,9-10H2,1-3H3,(H3,18,19,20).
What are the key properties of 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine?
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 316.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 111090499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).