2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine

C23H30N4O2S — CID 110061724

IUPAC2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine
SMILESCOc1ccc(CCN/C(=N/CCc2ccco2)N(C)CC(C)c2nccs2)cc1
InChIInChI=1S/C23H30N4O2S/c1-18(22-24-14-16-30-22)17-27(2)23(26-13-11-21-5-4-15-29-21)25-12-10-19-6-8-20(28-3)9-7-19/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,25,26)
InChIKeySERUOCIDMPPNSZ-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.21
Rot. Bonds10

About 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine

2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine (PubChem CID 110061724) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine
PubChem CID110061724
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine
SMILESCOc1ccc(CCN/C(=N/CCc2ccco2)N(C)CC(C)c2nccs2)cc1
InChIInChI=1S/C23H30N4O2S/c1-18(22-24-14-16-30-22)17-27(2)23(26-13-11-21-5-4-15-29-21)25-12-10-19-6-8-20(28-3)9-7-19/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,25,26)
InChIKeySERUOCIDMPPNSZ-UHFFFAOYSA-N
XLogP4.21
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
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

3-ethyl-2-[2-(furan-2-yl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110061725
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-[2-(1,3-thiazol-2-yl)propyl]guanidine
CID 110061720
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-2-ylmethyl)-1-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110061707
N,N-dimethyl-2-[[[methyl-[2-(1,3-thiazol-2-yl)propyl]amino]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050141
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111540305
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110051449
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111492934
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
1-(1-cyclopropyl-2-methoxyethyl)-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110060678
2-[2-(furan-2-yl)ethyl]-1-methyl-3-(2-phenylsulfanylethyl)-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110060981
1-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110051730
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 111356537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine (CID 110061724) is 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine is COc1ccc(CCN/C(=N/CCc2ccco2)N(C)CC(C)c2nccs2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine?
The InChIKey is SERUOCIDMPPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-18(22-24-14-16-30-22)17-27(2)23(26-13-11-21-5-4-15-29-21)25-12-10-19-6-8-20(28-3)9-7-19/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,25,26).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine?
2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine has a molecular weight of 426.59 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine is sourced from PubChem (CID 110061724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).