2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine

C18H26N4O3S — CID 111934439

IUPAC2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCCc1csc(C)n1)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C18H26N4O3S/c1-12-22-13(11-26-12)6-7-20-18(19-2)21-10-15-16(24-4)8-14(23-3)9-17(15)25-5/h8-9,11H,6-7,10H2,1-5H3,(H2,19,20,21)
InChIKeyPQNWLWSRPJXNJL-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.39
Rot. Bonds8

About 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine

2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine (PubChem CID 111934439) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
PubChem CID111934439
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCCc1csc(C)n1)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C18H26N4O3S/c1-12-22-13(11-26-12)6-7-20-18(19-2)21-10-15-16(24-4)8-14(23-3)9-17(15)25-5/h8-9,11H,6-7,10H2,1-5H3,(H2,19,20,21)
InChIKeyPQNWLWSRPJXNJL-UHFFFAOYSA-N
XLogP2.39
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933529
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339677
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110942560
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 109423419
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952471
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111680055
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933684
2-methyl-1-[(2-methylphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111359781
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932507
2-methyl-1-(pyridin-2-ylmethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 110970855
2-methyl-1-(2-methylpropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 111835555
1-[(2-chlorophenyl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111175145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine (CID 111934439) is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine is C/N=C(\NCCc1csc(C)n1)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
The InChIKey is PQNWLWSRPJXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-12-22-13(11-26-12)6-7-20-18(19-2)21-10-15-16(24-4)8-14(23-3)9-17(15)25-5/h8-9,11H,6-7,10H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine?
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine has a molecular weight of 378.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111934439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).