2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole

C11H8Cl2N2O3S — CID 91175623

IUPAC2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole
SMILESCOc1ccc(Oc2ncc(C(Cl)N=O)s2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O3S/c1-17-6-2-3-8(7(12)4-6)18-11-14-5-9(19-11)10(13)15-16/h2-5,10H,1H3
InChIKeyWQOXAOPEOVNYIQ-UHFFFAOYSA-N
MW319.17 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole

2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole (PubChem CID 91175623) has the molecular formula C11H8Cl2N2O3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole
PubChem CID91175623
Molecular FormulaC11H8Cl2N2O3S
Molecular Weight319.17 g/mol
Exact Mass317.96
IUPAC Name2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole
SMILESCOc1ccc(Oc2ncc(C(Cl)N=O)s2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N2O3S/c1-17-6-2-3-8(7(12)4-6)18-11-14-5-9(19-11)10(13)15-16/h2-5,10H,1H3
InChIKeyWQOXAOPEOVNYIQ-UHFFFAOYSA-N
XLogP4.60
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-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 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole (CID 91175623) is 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole is COc1ccc(Oc2ncc(C(Cl)N=O)s2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole?
The InChIKey is WQOXAOPEOVNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S/c1-17-6-2-3-8(7(12)4-6)18-11-14-5-9(19-11)10(13)15-16/h2-5,10H,1H3.
What are the key properties of 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole?
2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole has a molecular weight of 319.17 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole is sourced from PubChem (CID 91175623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).