2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide

C17H33IN4OS — CID 111763918

IUPAC2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCC/N=C(\NCC)NCCc1sc(C)nc1C.I
InChIInChI=1S/C17H32N4OS.HI/c1-5-7-12-22-13-8-10-19-17(18-6-2)20-11-9-16-14(3)21-15(4)23-16;/h5-13H2,1-4H3,(H2,18,19,20);1H
InChIKeyIISONCVYEDLXPA-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.68
Rot. Bonds11

About 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide

2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111763918) has the molecular formula C17H33IN4OS and a molecular weight of 468.45 g/mol. Its IUPAC name is 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111763918
Molecular FormulaC17H33IN4OS
Molecular Weight468.45 g/mol
Exact Mass468.14
IUPAC Name2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCC/N=C(\NCC)NCCc1sc(C)nc1C.I
InChIInChI=1S/C17H32N4OS.HI/c1-5-7-12-22-13-8-10-19-17(18-6-2)20-11-9-16-14(3)21-15(4)23-16;/h5-13H2,1-4H3,(H2,18,19,20);1H
InChIKeyIISONCVYEDLXPA-UHFFFAOYSA-N
XLogP3.68
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;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-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-pentylguanidine
CID 111760617
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111759049
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111763378
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111758479
1-(3-butoxypropyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylguanidine
CID 111763969
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-pentylguanidine
CID 111772100
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-3-pentylguanidine
CID 111760665
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111768785
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111763616
1-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111693554
2-[(4-chlorophenyl)methyl]-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 111760703

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide (CID 111763918) is 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide is CCCCOCCC/N=C(\NCC)NCCc1sc(C)nc1C.I.
What is the InChIKey of 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is IISONCVYEDLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4OS.HI/c1-5-7-12-22-13-8-10-19-17(18-6-2)20-11-9-16-14(3)21-15(4)23-16;/h5-13H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide?
2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 468.45 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111763918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).