1-benzyl-3-(2-methoxyphenyl)thiourea

C15H16N2OS — CID 797063

IUPAC1-benzyl-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-18-14-10-6-5-9-13(14)17-15(19)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,19)
InChIKeyXRUPTSSFXPQPKG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.18
Rot. Bonds4

About 1-benzyl-3-(2-methoxyphenyl)thiourea

1-benzyl-3-(2-methoxyphenyl)thiourea (PubChem CID 797063) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)thiourea
PubChem CID797063
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-benzyl-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-18-14-10-6-5-9-13(14)17-15(19)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,19)
InChIKeyXRUPTSSFXPQPKG-UHFFFAOYSA-N
XLogP3.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(2-methoxyphenyl)thiourea 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-benzyl-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)thiourea (CID 797063) is 1-benzyl-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)thiourea?
The InChIKey is XRUPTSSFXPQPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-18-14-10-6-5-9-13(14)17-15(19)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)thiourea?
1-benzyl-3-(2-methoxyphenyl)thiourea has a molecular weight of 272.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 797063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).