1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea

C14H15N3O2S — CID 800642

IUPAC1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea
SMILESCOc1ccc(NC(=S)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C14H15N3O2S/c1-18-10-6-7-11(12(9-10)19-2)16-14(20)17-13-5-3-4-8-15-13/h3-9H,1-2H3,(H2,15,16,17,20)
InChIKeyDTQOBAGJSYGSOW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea

1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea (PubChem CID 800642) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea
PubChem CID800642
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea
SMILESCOc1ccc(NC(=S)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C14H15N3O2S/c1-18-10-6-7-11(12(9-10)19-2)16-14(20)17-13-5-3-4-8-15-13/h3-9H,1-2H3,(H2,15,16,17,20)
InChIKeyDTQOBAGJSYGSOW-UHFFFAOYSA-N
XLogP2.91
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea 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-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea (CID 800642) is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea is COc1ccc(NC(=S)Nc2ccccn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea?
The InChIKey is DTQOBAGJSYGSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-18-10-6-7-11(12(9-10)19-2)16-14(20)17-13-5-3-4-8-15-13/h3-9H,1-2H3,(H2,15,16,17,20).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea?
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea has a molecular weight of 289.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 800642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).