1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide

C19H27IN4OS — CID 109454563

IUPAC1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N(C)Cc1csc(C(C)OC)n1.I
InChIInChI=1S/C19H26N4OS.HI/c1-13(24-4)18-21-15(12-25-18)11-23(3)19(20-2)22-17-10-16(17)14-8-6-5-7-9-14;/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,20,22);1H
InChIKeyYPCHXKNQXFVWST-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.03
Rot. Bonds6

About 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide

1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (PubChem CID 109454563) has the molecular formula C19H27IN4OS and a molecular weight of 486.42 g/mol. Its IUPAC name is 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
PubChem CID109454563
Molecular FormulaC19H27IN4OS
Molecular Weight486.42 g/mol
Exact Mass486.10
IUPAC Name1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESC/N=C(/NC1CC1c1ccccc1)N(C)Cc1csc(C(C)OC)n1.I
InChIInChI=1S/C19H26N4OS.HI/c1-13(24-4)18-21-15(12-25-18)11-23(3)19(20-2)22-17-10-16(17)14-8-6-5-7-9-14;/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,20,22);1H
InChIKeyYPCHXKNQXFVWST-UHFFFAOYSA-N
XLogP4.03
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 109455137
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 109454977
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 109455401
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 109454583
N-[2-[[N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide
CID 109455424
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine
CID 109455970
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 109456376
3-[(3-chlorophenyl)methyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109455035
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 109454933
3-(2-ethylbutyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109456366
3-[(3-fluorophenyl)methyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109455691
3-[(2-ethoxyphenyl)methyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109454938

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (CID 109454563) is 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide is C/N=C(/NC1CC1c1ccccc1)N(C)Cc1csc(C(C)OC)n1.I.
What is the InChIKey of 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The InChIKey is YPCHXKNQXFVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.HI/c1-13(24-4)18-21-15(12-25-18)11-23(3)19(20-2)22-17-10-16(17)14-8-6-5-7-9-14;/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,20,22);1H.
What are the key properties of 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide has a molecular weight of 486.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109454563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).