1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine

C14H18N4OS2 — CID 111812274

IUPAC1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCCSc1nccs1
InChIInChI=1S/C14H18N4OS2/c1-19-12-6-3-2-5-11(12)18-13(15)16-7-4-9-20-14-17-8-10-21-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H3,15,16,18)
InChIKeyHUGYVIVVZXCNGM-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine

1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine (PubChem CID 111812274) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
PubChem CID111812274
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCCSc1nccs1
InChIInChI=1S/C14H18N4OS2/c1-19-12-6-3-2-5-11(12)18-13(15)16-7-4-9-20-14-17-8-10-21-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H3,15,16,18)
InChIKeyHUGYVIVVZXCNGM-UHFFFAOYSA-N
XLogP3.06
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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-(3,5-dimethylphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812284
1-(4-propan-2-yloxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812250
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(4-propan-2-yloxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111812249
2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111465994
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111817888
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine (CID 111812274) is 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine is COc1ccccc1N/C(N)=N/CCCSc1nccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
The InChIKey is HUGYVIVVZXCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-19-12-6-3-2-5-11(12)18-13(15)16-7-4-9-20-14-17-8-10-21-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H3,15,16,18).
What are the key properties of 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine?
1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine has a molecular weight of 322.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine is sourced from PubChem (CID 111812274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).