1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

C20H27N5S — CID 111509753

IUPAC1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ncc(CC)s1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N5S/c1-3-16-14-25-19(26-16)10-12-23-20(21-4-2)22-11-9-15-13-24-18-8-6-5-7-17(15)18/h5-8,13-14,24H,3-4,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyKJJAZVFPJSLWJT-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.53
Rot. Bonds8

About 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 111509753) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID111509753
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC Name1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ncc(CC)s1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N5S/c1-3-16-14-25-19(26-16)10-12-23-20(21-4-2)22-11-9-15-13-24-18-8-6-5-7-17(15)18/h5-8,13-14,24H,3-4,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyKJJAZVFPJSLWJT-UHFFFAOYSA-N
XLogP3.53
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.53
H-Bond Donors ≤ 53
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

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111509738
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-phenylethyl)guanidine
CID 111510580
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111532315
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111536054
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400928
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
N-[2-[[N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111531497
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111532000

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (CID 111509753) is 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CCc1ncc(CC)s1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is KJJAZVFPJSLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5S/c1-3-16-14-25-19(26-16)10-12-23-20(21-4-2)22-11-9-15-13-24-18-8-6-5-7-17(15)18/h5-8,13-14,24H,3-4,9-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 369.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111509753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).