3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide

C20H30IN5S — CID 109423241

IUPAC3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)N(C)Cc1csc(C)n1.I
InChIInChI=1S/C20H29N5S.HI/c1-5-21-20(25(4)13-18-14-26-15(2)23-18)22-12-16-8-9-19-17(11-16)7-6-10-24(19)3;/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,21,22);1H
InChIKeySSLNMWMOKAYWLG-UHFFFAOYSA-N
MW499.47 g/mol
LogP4.05
Rot. Bonds5

About 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide

3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 109423241) has the molecular formula C20H30IN5S and a molecular weight of 499.47 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID109423241
Molecular FormulaC20H30IN5S
Molecular Weight499.47 g/mol
Exact Mass499.13
IUPAC Name3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc2c(c1)CCCN2C)N(C)Cc1csc(C)n1.I
InChIInChI=1S/C20H29N5S.HI/c1-5-21-20(25(4)13-18-14-26-15(2)23-18)22-12-16-8-9-19-17(11-16)7-6-10-24(19)3;/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,21,22);1H
InChIKeySSLNMWMOKAYWLG-UHFFFAOYSA-N
XLogP4.05
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421145
3-ethyl-1-methyl-2-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425345
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 109421935
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423244
3-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423643
3-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424397
3-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422619
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421898
3-ethyl-1-methyl-2-[(4-methylsulfanylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422670
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424871
N,N-diethyl-4-[[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 109425385
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109422027

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide (CID 109423241) is 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccc2c(c1)CCCN2C)N(C)Cc1csc(C)n1.I.
What is the InChIKey of 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is SSLNMWMOKAYWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5S.HI/c1-5-21-20(25(4)13-18-14-26-15(2)23-18)22-12-16-8-9-19-17(11-16)7-6-10-24(19)3;/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,21,22);1H.
What are the key properties of 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 499.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109423241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).