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

C14H18N4OS — CID 111041271

IUPAC1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-17-11(9-20-10)7-8-16-14(15)18-12-5-3-4-6-13(12)19-2/h3-6,9H,7-8H2,1-2H3,(H3,15,16,18)
InChIKeyXRCZTXXXYITZOJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.43
Rot. Bonds5

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

1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111041271) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID111041271
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-10-17-11(9-20-10)7-8-16-14(15)18-12-5-3-4-6-13(12)19-2/h3-6,9H,7-8H2,1-2H3,(H3,15,16,18)
InChIKeyXRCZTXXXYITZOJ-UHFFFAOYSA-N
XLogP2.43
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.43
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

2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111041298
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111090689
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
1-(2-methoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077718
1-(2-methoxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111802603
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111041271) is 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is COc1ccccc1N/C(N)=N/CCc1csc(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is XRCZTXXXYITZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-17-11(9-20-10)7-8-16-14(15)18-12-5-3-4-6-13(12)19-2/h3-6,9H,7-8H2,1-2H3,(H3,15,16,18).
What are the key properties of 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 290.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111041271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).