1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

C15H28N4O2S — CID 111768785

IUPAC1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCCOC)NCCc1sc(C)nc1C
InChIInChI=1S/C15H28N4O2S/c1-12-14(22-13(2)19-12)6-8-18-15(16-3)17-7-5-9-21-11-10-20-4/h5-11H2,1-4H3,(H2,16,17,18)
InChIKeyYNQPERWZKYTNBR-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.52
Rot. Bonds10

About 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (PubChem CID 111768785) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
PubChem CID111768785
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCCOC)NCCc1sc(C)nc1C
InChIInChI=1S/C15H28N4O2S/c1-12-14(22-13(2)19-12)6-8-18-15(16-3)17-7-5-9-21-11-10-20-4/h5-11H2,1-4H3,(H2,16,17,18)
InChIKeyYNQPERWZKYTNBR-UHFFFAOYSA-N
XLogP1.52
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.52
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'}

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Related Compounds

1-(3-butoxypropyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylguanidine
CID 111763969
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-3-pentylguanidine
CID 111760665
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111759049
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111758479
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111774090
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762100
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
2-(3-butoxypropyl)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111763918
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111767345

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (CID 111768785) is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is C/N=C(\NCCCOCCOC)NCCc1sc(C)nc1C.
What is the InChIKey of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The InChIKey is YNQPERWZKYTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-12-14(22-13(2)19-12)6-8-18-15(16-3)17-7-5-9-21-11-10-20-4/h5-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine has a molecular weight of 328.48 g/mol, XLogP of 1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111768785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).