1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

C15H21IN4OS — CID 110032607

IUPAC1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CC(C)c2nc(C)cs2)cc1.I
InChIInChI=1S/C15H20N4OS.HI/c1-10(14-18-11(2)9-21-14)8-17-15(16)19-12-4-6-13(20-3)7-5-12;/h4-7,9-10H,8H2,1-3H3,(H3,16,17,19);1H
InChIKeyZPUVLGFSLWQBGD-UHFFFAOYSA-N
MW432.33 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (PubChem CID 110032607) has the molecular formula C15H21IN4OS and a molecular weight of 432.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
PubChem CID110032607
Molecular FormulaC15H21IN4OS
Molecular Weight432.33 g/mol
Exact Mass432.05
IUPAC Name1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CC(C)c2nc(C)cs2)cc1.I
InChIInChI=1S/C15H20N4OS.HI/c1-10(14-18-11(2)9-21-14)8-17-15(16)19-12-4-6-13(20-3)7-5-12;/h4-7,9-10H,8H2,1-3H3,(H3,16,17,19);1H
InChIKeyZPUVLGFSLWQBGD-UHFFFAOYSA-N
XLogP3.61
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
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 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]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

1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 110032554
1-(4-methoxyphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032961
2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(4-methoxyphenyl)propyl]guanidine
CID 142888276
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[2-(1,3-thiazol-2-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110032784
2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104771159
1-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
1-(4-methoxyphenyl)-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045247
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067508

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (CID 110032607) is 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is COc1ccc(N/C(N)=N/CC(C)c2nc(C)cs2)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The InChIKey is ZPUVLGFSLWQBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.HI/c1-10(14-18-11(2)9-21-14)8-17-15(16)19-12-4-6-13(20-3)7-5-12;/h4-7,9-10H,8H2,1-3H3,(H3,16,17,19);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide has a molecular weight of 432.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110032607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).