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

C18H34IN5OS — CID 111315889

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCc1nc(C)cs1.I
InChIInChI=1S/C18H33N5OS.HI/c1-5-19-17(20-8-6-7-16-22-15(2)13-25-16)21-14-18(3,4)23-9-11-24-12-10-23;/h13H,5-12,14H2,1-4H3,(H2,19,20,21);1H
InChIKeyCFNOQQUPBQLJPS-UHFFFAOYSA-N
MW495.48 g/mol
LogP2.67
Rot. Bonds8

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

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (PubChem CID 111315889) has the molecular formula C18H34IN5OS and a molecular weight of 495.48 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
PubChem CID111315889
Molecular FormulaC18H34IN5OS
Molecular Weight495.48 g/mol
Exact Mass495.15
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCc1nc(C)cs1.I
InChIInChI=1S/C18H33N5OS.HI/c1-5-19-17(20-8-6-7-16-22-15(2)13-25-16)21-14-18(3,4)23-9-11-24-12-10-23;/h13H,5-12,14H2,1-4H3,(H2,19,20,21);1H
InChIKeyCFNOQQUPBQLJPS-UHFFFAOYSA-N
XLogP2.67
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111315295
1-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972592
1-ethyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375116
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314392
1-ethyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284872
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 109416921
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-3-[3-(3-methoxyphenyl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315301
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-ethyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138414
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (CID 111315889) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCCc1nc(C)cs1.I.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The InChIKey is CFNOQQUPBQLJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5OS.HI/c1-5-19-17(20-8-6-7-16-22-15(2)13-25-16)21-14-18(3,4)23-9-11-24-12-10-23;/h13H,5-12,14H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide has a molecular weight of 495.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111315889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).