4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C22H19N3OS — CID 166625976

IUPAC4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(Nc3ccccn3)n2)c(C)c1
InChIInChI=1S/C22H19N3OS/c1-15-10-11-19(16(2)13-15)26-20-8-4-3-7-17(20)18-14-27-22(24-18)25-21-9-5-6-12-23-21/h3-14H,1-2H3,(H,23,24,25)
InChIKeyBPJVFZLPBSTNDN-UHFFFAOYSA-N
MW373.48 g/mol
LogP6.36
Rot. Bonds5

About 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 166625976) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID166625976
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(Nc3ccccn3)n2)c(C)c1
InChIInChI=1S/C22H19N3OS/c1-15-10-11-19(16(2)13-15)26-20-8-4-3-7-17(20)18-14-27-22(24-18)25-21-9-5-6-12-23-21/h3-14H,1-2H3,(H,23,24,25)
InChIKeyBPJVFZLPBSTNDN-UHFFFAOYSA-N
XLogP6.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine 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 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 166625976) is 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccc(Oc2ccccc2-c2csc(Nc3ccccn3)n2)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is BPJVFZLPBSTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-10-11-19(16(2)13-15)26-20-8-4-3-7-17(20)18-14-27-22(24-18)25-21-9-5-6-12-23-21/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 373.48 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 166625976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).