1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

C16H22N4S — CID 110032554

IUPAC1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(C)c2nc(C)cs2)c1
InChIInChI=1S/C16H22N4S/c1-10-5-11(2)7-14(6-10)20-16(17)18-8-12(3)15-19-13(4)9-21-15/h5-7,9,12H,8H2,1-4H3,(H3,17,18,20)
InChIKeyQGJSKQLYIRWQEX-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.60
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (PubChem CID 110032554) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
PubChem CID110032554
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1cc(C)cc(N/C(N)=N/CC(C)c2nc(C)cs2)c1
InChIInChI=1S/C16H22N4S/c1-10-5-11(2)7-14(6-10)20-16(17)18-8-12(3)15-19-13(4)9-21-15/h5-7,9,12H,8H2,1-4H3,(H3,17,18,20)
InChIKeyQGJSKQLYIRWQEX-UHFFFAOYSA-N
XLogP3.60
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110032566
1-(4-methoxyphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032607
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 136530651
1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097631
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110032535
1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816840
1-(3,5-dimethylphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111815272
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032561
1-(4-bromo-3,5-dimethylphenyl)-2-(2-methylpropyl)guanidine
CID 107579098
1-(3,5-dimethylphenyl)-2-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911286
1-(3,5-dimethylphenyl)-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 111026274

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (CID 110032554) is 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is Cc1cc(C)cc(N/C(N)=N/CC(C)c2nc(C)cs2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The InChIKey is QGJSKQLYIRWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-10-5-11(2)7-14(6-10)20-16(17)18-8-12(3)15-19-13(4)9-21-15/h5-7,9,12H,8H2,1-4H3,(H3,17,18,20).
What are the key properties of 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine has a molecular weight of 302.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is sourced from PubChem (CID 110032554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).