1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea

C12H20N2O2S — CID 113218414

IUPAC1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
SMILESCCOCCCNC(=S)NCCc1ccco1
InChIInChI=1S/C12H20N2O2S/c1-2-15-9-4-7-13-12(17)14-8-6-11-5-3-10-16-11/h3,5,10H,2,4,6-9H2,1H3,(H2,13,14,17)
InChIKeySNCLXGACDYMGBO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.71
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea

1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea (PubChem CID 113218414) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
PubChem CID113218414
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
SMILESCCOCCCNC(=S)NCCc1ccco1
InChIInChI=1S/C12H20N2O2S/c1-2-15-9-4-7-13-12(17)14-8-6-11-5-3-10-16-11/h3,5,10H,2,4,6-9H2,1H3,(H2,13,14,17)
InChIKeySNCLXGACDYMGBO-UHFFFAOYSA-N
XLogP1.71
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111769874
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002246
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978803
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651785
4-[[[(3-ethoxypropylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111354862
2-[(4-bromophenyl)methyl]-1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111753879
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111842084
1-[2-(furan-2-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111354350
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
CID 8728003
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663244

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea (CID 113218414) is 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea is CCOCCCNC(=S)NCCc1ccco1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea?
The InChIKey is SNCLXGACDYMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-15-9-4-7-13-12(17)14-8-6-11-5-3-10-16-11/h3,5,10H,2,4,6-9H2,1H3,(H2,13,14,17).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea?
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea has a molecular weight of 256.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 113218414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).