1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea

C14H15N3OS — CID 20622709

IUPAC1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea
SMILESCNC(=S)Nc1nc(OC)ccc1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c1-15-14(19)17-13-11(8-9-12(16-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyJWADAEKKOLMBRN-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.67
Rot. Bonds3

About 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea

1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea (PubChem CID 20622709) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea
PubChem CID20622709
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea
SMILESCNC(=S)Nc1nc(OC)ccc1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c1-15-14(19)17-13-11(8-9-12(16-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17,19)
InChIKeyJWADAEKKOLMBRN-UHFFFAOYSA-N
XLogP2.67
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea 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-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea?
The IUPAC name of 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea (CID 20622709) is 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea.
What is the SMILES notation for 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea?
The canonical SMILES for 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea is CNC(=S)Nc1nc(OC)ccc1-c1ccccc1.
What is the InChIKey of 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea?
The InChIKey is JWADAEKKOLMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-15-14(19)17-13-11(8-9-12(16-13)18-2)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea?
1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea has a molecular weight of 273.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-phenyl-2-pyridinyl)-3-methylthiourea is sourced from PubChem (CID 20622709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).