1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

C18H23N5S — CID 111933082

IUPAC1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCCc1csc(C)n1
InChIInChI=1S/C18H23N5S/c1-3-19-18(20-9-8-15-12-24-13(2)22-15)21-11-16-10-14-6-4-5-7-17(14)23-16/h4-7,10,12,23H,3,8-9,11H2,1-2H3,(H2,19,20,21)
InChIKeyLVQYYXFGVPIDIK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.23
Rot. Bonds6

About 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111933082) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID111933082
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCCc1csc(C)n1
InChIInChI=1S/C18H23N5S/c1-3-19-18(20-9-8-15-12-24-13(2)22-15)21-11-16-10-14-6-4-5-7-17(14)23-16/h4-7,10,12,23H,3,8-9,11H2,1-2H3,(H2,19,20,21)
InChIKeyLVQYYXFGVPIDIK-UHFFFAOYSA-N
XLogP3.23
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.23
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

2-benzyl-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110954784
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 84584019
1-ethyl-2-[(4-methylphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243977
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111932667
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898340
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111934073
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111131669
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-naphthalen-2-ylethyl)guanidine
CID 111933421
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934457
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934356

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111933082) is 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is CCN/C(=N\Cc1cc2ccccc2[nH]1)NCCc1csc(C)n1.
What is the InChIKey of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is LVQYYXFGVPIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-3-19-18(20-9-8-15-12-24-13(2)22-15)21-11-16-10-14-6-4-5-7-17(14)23-16/h4-7,10,12,23H,3,8-9,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 341.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111933082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).