1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea

C15H17N3OS — CID 2731492

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C15H17N3OS/c1-10-7-11(2)16-14(8-10)18-15(20)17-12-5-4-6-13(9-12)19-3/h4-9H,1-3H3,(H2,16,17,18,20)
InChIKeyMCCHZJVDMBZCMR-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.52
Rot. Bonds3

About 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea

1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 2731492) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea
PubChem CID2731492
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C15H17N3OS/c1-10-7-11(2)16-14(8-10)18-15(20)17-12-5-4-6-13(9-12)19-3/h4-9H,1-3H3,(H2,16,17,18,20)
InChIKeyMCCHZJVDMBZCMR-UHFFFAOYSA-N
XLogP3.52
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,6-dimethyl-2-pyridinyl)-3-(3-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-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea (CID 2731492) is 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is MCCHZJVDMBZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-7-11(2)16-14(8-10)18-15(20)17-12-5-4-6-13(9-12)19-3/h4-9H,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea?
1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 287.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 2731492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).