1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine

C13H24N4OS — CID 111605869

IUPAC1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnc(C)s1)NCC(C)(C)OC
InChIInChI=1S/C13H24N4OS/c1-6-14-12(17-9-13(3,4)18-5)16-8-11-7-15-10(2)19-11/h7H,6,8-9H2,1-5H3,(H2,14,16,17)
InChIKeyXZHAEZPNLNGXJC-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.93
Rot. Bonds6

About 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine

1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 111605869) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID111605869
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnc(C)s1)NCC(C)(C)OC
InChIInChI=1S/C13H24N4OS/c1-6-14-12(17-9-13(3,4)18-5)16-8-11-7-15-10(2)19-11/h7H,6,8-9H2,1-5H3,(H2,14,16,17)
InChIKeyXZHAEZPNLNGXJC-UHFFFAOYSA-N
XLogP1.93
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.93
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'}

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Related Compounds

1-tert-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110964276
1-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111151239
1-ethyl-3-(2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111890797
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111661096
1-ethyl-3-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110977063
1-cyclohexyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110956978
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607315
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111607071
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111531292
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111607065
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004624
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111276628

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 111605869) is 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine is CCN/C(=N\Cc1cnc(C)s1)NCC(C)(C)OC.
What is the InChIKey of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is XZHAEZPNLNGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-14-12(17-9-13(3,4)18-5)16-8-11-7-15-10(2)19-11/h7H,6,8-9H2,1-5H3,(H2,14,16,17).
What are the key properties of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 284.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111605869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).