1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine

C19H24N4OS — CID 109419950

IUPAC1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCC(C)(O)c1cccs1
InChIInChI=1S/C19H24N4OS/c1-3-20-18(22-13-19(2,24)17-9-6-10-25-17)21-12-15-11-14-7-4-5-8-16(14)23-15/h4-11,23-24H,3,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyRYTWMJPPMRARFX-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.19
Rot. Bonds6

About 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine

1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 109419950) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID109419950
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCC(C)(O)c1cccs1
InChIInChI=1S/C19H24N4OS/c1-3-20-18(22-13-19(2,24)17-9-6-10-25-17)21-12-15-11-14-7-4-5-8-16(14)23-15/h4-11,23-24H,3,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyRYTWMJPPMRARFX-UHFFFAOYSA-N
XLogP3.19
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.19
H-Bond Donors ≤ 54
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-chlorophenyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420635
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109420546
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109419113
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420545
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 109419316
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 109419620
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(quinolin-4-ylmethyl)guanidine
CID 109420516
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419752
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 109419624
1-ethyl-2-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
N-tert-butyl-2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111384718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine (CID 109419950) is 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine is CCN/C(=N\Cc1cc2ccccc2[nH]1)NCC(C)(O)c1cccs1.
What is the InChIKey of 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is RYTWMJPPMRARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-20-18(22-13-19(2,24)17-9-6-10-25-17)21-12-15-11-14-7-4-5-8-16(14)23-15/h4-11,23-24H,3,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine?
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 356.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 109419950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).