2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide

C14H18IN3OS — CID 111444563

IUPAC2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
SMILESCC(O)(C/N=C(\N)Nc1ccccc1)c1cccs1.I
InChIInChI=1S/C14H17N3OS.HI/c1-14(18,12-8-5-9-19-12)10-16-13(15)17-11-6-3-2-4-7-11;/h2-9,18H,10H2,1H3,(H3,15,16,17);1H
InChIKeyDHUQVAITJDAELU-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide

2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide (PubChem CID 111444563) has the molecular formula C14H18IN3OS and a molecular weight of 403.29 g/mol. Its IUPAC name is 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
PubChem CID111444563
Molecular FormulaC14H18IN3OS
Molecular Weight403.29 g/mol
Exact Mass403.02
IUPAC Name2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
SMILESCC(O)(C/N=C(\N)Nc1ccccc1)c1cccs1.I
InChIInChI=1S/C14H17N3OS.HI/c1-14(18,12-8-5-9-19-12)10-16-13(15)17-11-6-3-2-4-7-11;/h2-9,18H,10H2,1H3,(H3,15,16,17);1H
InChIKeyDHUQVAITJDAELU-UHFFFAOYSA-N
XLogP3.00
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.00
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823834
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111823844
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111823846
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823860
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-propylguanidine
CID 111823877
1,1-diethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823890
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111823821
1-(cyclobutylmethyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 111823895
1-(3,5-dimethylphenyl)-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111823558
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide (CID 111444563) is 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide is CC(O)(C/N=C(\N)Nc1ccccc1)c1cccs1.I.
What is the InChIKey of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide?
The InChIKey is DHUQVAITJDAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.HI/c1-14(18,12-8-5-9-19-12)10-16-13(15)17-11-6-3-2-4-7-11;/h2-9,18H,10H2,1H3,(H3,15,16,17);1H.
What are the key properties of 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide?
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide has a molecular weight of 403.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111444563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).