3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide

C18H24IN5OS — CID 111281510

IUPAC3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1ccccc1OC.I
InChIInChI=1S/C18H23N5OS.HI/c1-4-19-17(20-11-15-13-23-9-10-25-18(23)21-15)22(2)12-14-7-5-6-8-16(14)24-3;/h5-10,13H,4,11-12H2,1-3H3,(H,19,20);1H
InChIKeyJEYVNGWGGSOEJT-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.62
Rot. Bonds6

About 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide

3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide (PubChem CID 111281510) has the molecular formula C18H24IN5OS and a molecular weight of 485.40 g/mol. Its IUPAC name is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
PubChem CID111281510
Molecular FormulaC18H24IN5OS
Molecular Weight485.40 g/mol
Exact Mass485.07
IUPAC Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1ccccc1OC.I
InChIInChI=1S/C18H23N5OS.HI/c1-4-19-17(20-11-15-13-23-9-10-25-18(23)21-15)22(2)12-14-7-5-6-8-16(14)24-3;/h5-10,13H,4,11-12H2,1-3H3,(H,19,20);1H
InChIKeyJEYVNGWGGSOEJT-UHFFFAOYSA-N
XLogP3.62
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;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-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456850
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682321
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-propylguanidine;hydroiodide
CID 111282326
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386304
1-[(2-chlorophenyl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethylguanidine
CID 111294505
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386305
3-ethyl-2-[(2-methoxyphenyl)methyl]-1,1-dimethylguanidine;hydroiodide
CID 111215798
3-ethyl-1-[(2-methoxyphenyl)methyl]-2-[(6-methoxy-3-pyridinyl)methyl]-1-methylguanidine;hydroiodide
CID 111281516
3-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-1-methylguanidine
CID 111281729
N-ethyl-4-[[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]methyl]benzamide
CID 111282431
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 97021277
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111282751

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide (CID 111281510) is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide is CCN/C(=N\Cc1cn2ccsc2n1)N(C)Cc1ccccc1OC.I.
What is the InChIKey of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide?
The InChIKey is JEYVNGWGGSOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS.HI/c1-4-19-17(20-11-15-13-23-9-10-25-18(23)21-15)22(2)12-14-7-5-6-8-16(14)24-3;/h5-10,13H,4,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide?
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide has a molecular weight of 485.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 111281510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).