4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole

C11H9Cl2NOS — CID 83153099

IUPAC4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)cc(C)c1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-3-8(4-7(2)10(6)13)15-11-14-9(12)5-16-11/h3-5H,1-2H3
InChIKeyCIYABUMIKWWIGQ-UHFFFAOYSA-N
MW274.17 g/mol
LogP4.86
Rot. Bonds2

About 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole

4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole (PubChem CID 83153099) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole
PubChem CID83153099
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)cc(C)c1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-6-3-8(4-7(2)10(6)13)15-11-14-9(12)5-16-11/h3-5H,1-2H3
InChIKeyCIYABUMIKWWIGQ-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole 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-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole (CID 83153099) is 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole is Cc1cc(Oc2nc(Cl)cs2)cc(C)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole?
The InChIKey is CIYABUMIKWWIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-6-3-8(4-7(2)10(6)13)15-11-14-9(12)5-16-11/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole?
4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole has a molecular weight of 274.17 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole is sourced from PubChem (CID 83153099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).