1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine

C14H26N4OS — CID 56801480

IUPAC1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCc1nc(CC)c(C)s1
InChIInChI=1S/C14H26N4OS/c1-5-12-11(3)20-13(18-12)7-8-16-14(15-6-2)17-9-10-19-4/h5-10H2,1-4H3,(H2,15,16,17)
InChIKeyUHVZXZLVCIFWHP-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.76
Rot. Bonds8

About 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine

1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine (PubChem CID 56801480) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
PubChem CID56801480
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCc1nc(CC)c(C)s1
InChIInChI=1S/C14H26N4OS/c1-5-12-11(3)20-13(18-12)7-8-16-14(15-6-2)17-9-10-19-4/h5-10H2,1-4H3,(H2,15,16,17)
InChIKeyUHVZXZLVCIFWHP-UHFFFAOYSA-N
XLogP1.76
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.76
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-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine (CID 56801480) is 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine is CCN/C(=N\CCOC)NCCc1nc(CC)c(C)s1.
What is the InChIKey of 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
The InChIKey is UHVZXZLVCIFWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-5-12-11(3)20-13(18-12)7-8-16-14(15-6-2)17-9-10-19-4/h5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine?
1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine has a molecular weight of 298.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 56801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).