1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C9H16N4OS — CID 47083302

IUPAC1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1csc(C)n1
InChIInChI=1S/C9H16N4OS/c1-7-13-8(6-15-7)5-12-9(10)11-3-4-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyMRYABSHOCRSJIA-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.50
Rot. Bonds5

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

1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 47083302) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID47083302
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1csc(C)n1
InChIInChI=1S/C9H16N4OS/c1-7-13-8(6-15-7)5-12-9(10)11-3-4-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyMRYABSHOCRSJIA-UHFFFAOYSA-N
XLogP0.50
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 47083302) is 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is COCCN/C(N)=N/Cc1csc(C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is MRYABSHOCRSJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7-13-8(6-15-7)5-12-9(10)11-3-4-14-2/h6H,3-5H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 228.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 47083302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).