4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde

C11H7Cl2NO2S — CID 80688464

IUPAC4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(Cl)cc1Oc1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H7Cl2NO2S/c1-6-2-3-7(12)4-8(6)16-11-14-10(13)9(5-15)17-11/h2-5H,1H3
InChIKeyHCAOLANJHUQRKD-UHFFFAOYSA-N
MW288.16 g/mol
LogP4.36
Rot. Bonds3

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

4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 80688464) has the molecular formula C11H7Cl2NO2S and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID80688464
Molecular FormulaC11H7Cl2NO2S
Molecular Weight288.16 g/mol
Exact Mass286.96
IUPAC Name4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(Cl)cc1Oc1nc(Cl)c(C=O)s1
InChIInChI=1S/C11H7Cl2NO2S/c1-6-2-3-7(12)4-8(6)16-11-14-10(13)9(5-15)17-11/h2-5H,1H3
InChIKeyHCAOLANJHUQRKD-UHFFFAOYSA-N
XLogP4.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2,3-dichlorophenoxy)-1,3-thiazole-5-carbaldehyde
CID 112724472
4-chloro-2-(2-chloro-5-nitrophenoxy)-1,3-thiazole-5-carbaldehyde
CID 80687724
2-(4-bromo-2-nitrophenoxy)-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688285
4-chloro-2-(5-fluoro-2-nitrophenoxy)-1,3-thiazole-5-carbaldehyde
CID 80688375
4-chloro-2-(4-propylphenoxy)-1,3-thiazole-5-carbaldehyde
CID 80687178
4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
CID 80687597
4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde
CID 80687357
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826
N-[[5-(5-chloro-2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80620776
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzaldehyde
CID 114844853
N-[[5-(5-chloro-2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620865
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde (CID 80688464) is 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde is Cc1ccc(Cl)cc1Oc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is HCAOLANJHUQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2S/c1-6-2-3-7(12)4-8(6)16-11-14-10(13)9(5-15)17-11/h2-5H,1H3.
What are the key properties of 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).