1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea

C17H18N2O2S — CID 7943253

IUPAC1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C17H18N2O2S/c1-3-8-18-17(22)19-13-10-15-12(9-16(13)20-2)11-6-4-5-7-14(11)21-15/h4-7,9-10H,3,8H2,1-2H3,(H2,18,19,22)
InChIKeyWVBAUXOKKJCRQY-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.29
Rot. Bonds4

About 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea

1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea (PubChem CID 7943253) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea
PubChem CID7943253
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C17H18N2O2S/c1-3-8-18-17(22)19-13-10-15-12(9-16(13)20-2)11-6-4-5-7-14(11)21-15/h4-7,9-10H,3,8H2,1-2H3,(H2,18,19,22)
InChIKeyWVBAUXOKKJCRQY-UHFFFAOYSA-N
XLogP4.29
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea?
The IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea (CID 7943253) is 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea.
What is the SMILES notation for 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea?
The canonical SMILES for 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea is CCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea?
The InChIKey is WVBAUXOKKJCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-8-18-17(22)19-13-10-15-12(9-16(13)20-2)11-6-4-5-7-14(11)21-15/h4-7,9-10H,3,8H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea?
1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea has a molecular weight of 314.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxydibenzofuran-3-yl)-3-propylthiourea is sourced from PubChem (CID 7943253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).