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

C16H22N4O2S — CID 111090689

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCc1nc(CC/N=C(\N)Nc2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H22N4O2S/c1-4-15-19-11(10-23-15)7-8-18-16(17)20-13-9-12(21-2)5-6-14(13)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,17,18,20)
InChIKeyJYHBGDBGXLHIPO-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.69
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111090689) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID111090689
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCc1nc(CC/N=C(\N)Nc2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H22N4O2S/c1-4-15-19-11(10-23-15)7-8-18-16(17)20-13-9-12(21-2)5-6-14(13)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,17,18,20)
InChIKeyJYHBGDBGXLHIPO-UHFFFAOYSA-N
XLogP2.69
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111815265
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111087818
1-(2,5-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111097100
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111806970
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111214141
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806315

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111090689) is 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine is CCc1nc(CC/N=C(\N)Nc2cc(OC)ccc2OC)cs1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is JYHBGDBGXLHIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-15-19-11(10-23-15)7-8-18-16(17)20-13-9-12(21-2)5-6-14(13)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,17,18,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 334.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111090689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).