1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine

C20H28F3N5OS — CID 111687774

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C20H28F3N5OS/c1-2-24-19(25-9-8-18-27-17(14-30-18)20(21,22)23)26-13-15(16-7-6-12-29-16)28-10-4-3-5-11-28/h6-7,12,14-15H,2-5,8-11,13H2,1H3,(H2,24,25,26)
InChIKeyQNXZDVUKICEDKI-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.08
Rot. Bonds8

About 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine (PubChem CID 111687774) has the molecular formula C20H28F3N5OS and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
PubChem CID111687774
Molecular FormulaC20H28F3N5OS
Molecular Weight443.54 g/mol
Exact Mass443.20
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C20H28F3N5OS/c1-2-24-19(25-9-8-18-27-17(14-30-18)20(21,22)23)26-13-15(16-7-6-12-29-16)28-10-4-3-5-11-28/h6-7,12,14-15H,2-5,8-11,13H2,1H3,(H2,24,25,26)
InChIKeyQNXZDVUKICEDKI-UHFFFAOYSA-N
XLogP4.08
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.08
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-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]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

1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111617899
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111689577
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111514912
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111304228
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111008446
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111689953
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111765163
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111305062
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111837716
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615192
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111837733
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111688873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine (CID 111687774) is 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine is CCN/C(=N\CC(c1ccco1)N1CCCCC1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The InChIKey is QNXZDVUKICEDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5OS/c1-2-24-19(25-9-8-18-27-17(14-30-18)20(21,22)23)26-13-15(16-7-6-12-29-16)28-10-4-3-5-11-28/h6-7,12,14-15H,2-5,8-11,13H2,1H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine has a molecular weight of 443.54 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine is sourced from PubChem (CID 111687774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).