1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea

C15H18N2O2S — CID 8599987

IUPAC1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea
SMILESCCOc1ccc(NC(=S)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-18-13-8-6-12(7-9-13)17-15(20)16-11(2)14-5-4-10-19-14/h4-11H,3H2,1-2H3,(H2,16,17,20)/t11-/m1/s1
InChIKeyAOALFQKAQOAWKZ-LLVKDONJSA-N
MW290.39 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea

1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea (PubChem CID 8599987) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea
PubChem CID8599987
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea
SMILESCCOc1ccc(NC(=S)N[C@H](C)c2ccco2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-18-13-8-6-12(7-9-13)17-15(20)16-11(2)14-5-4-10-19-14/h4-11H,3H2,1-2H3,(H2,16,17,20)/t11-/m1/s1
InChIKeyAOALFQKAQOAWKZ-LLVKDONJSA-N
XLogP3.73
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea 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-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 19675005
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 133216947
CID 87125510
CID 87125510
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8920331
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 6958648

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea (CID 8599987) is 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea is CCOc1ccc(NC(=S)N[C@H](C)c2ccco2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea?
The InChIKey is AOALFQKAQOAWKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-18-13-8-6-12(7-9-13)17-15(20)16-11(2)14-5-4-10-19-14/h4-11H,3H2,1-2H3,(H2,16,17,20)/t11-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea?
1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea has a molecular weight of 290.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(1R)-1-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 8599987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).