1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

C12H17N5OS — CID 111091206

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESCc1noc(CCN/C(N)=N/CCc2cccs2)n1
InChIInChI=1S/C12H17N5OS/c1-9-16-11(18-17-9)5-7-15-12(13)14-6-4-10-3-2-8-19-10/h2-3,8H,4-7H2,1H3,(H3,13,14,15)
InChIKeyIPELTSYXAUKFBF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.13
Rot. Bonds6

About 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111091206) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111091206
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESCc1noc(CCN/C(N)=N/CCc2cccs2)n1
InChIInChI=1S/C12H17N5OS/c1-9-16-11(18-17-9)5-7-15-12(13)14-6-4-10-3-2-8-19-10/h2-3,8H,4-7H2,1H3,(H3,13,14,15)
InChIKeyIPELTSYXAUKFBF-UHFFFAOYSA-N
XLogP1.13
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.13
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'}

Analyze 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349774
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 110930250
2-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111258459
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-octylguanidine;hydroiodide
CID 111091189
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111091248
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111804650
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111813830
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (CID 111091206) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is Cc1noc(CCN/C(N)=N/CCc2cccs2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is IPELTSYXAUKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-16-11(18-17-9)5-7-15-12(13)14-6-4-10-3-2-8-19-10/h2-3,8H,4-7H2,1H3,(H3,13,14,15).
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 279.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111091206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).