4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole

C13H13Cl2NOS — CID 65126386

IUPAC4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole
SMILESClCc1csc(CCOCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2NOS/c14-7-12-9-18-13(16-12)4-5-17-8-10-2-1-3-11(15)6-10/h1-3,6,9H,4-5,7-8H2
InChIKeyIMYOBVBOXOXYHU-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.29
Rot. Bonds6

About 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole (PubChem CID 65126386) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole
PubChem CID65126386
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole
SMILESClCc1csc(CCOCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2NOS/c14-7-12-9-18-13(16-12)4-5-17-8-10-2-1-3-11(15)6-10/h1-3,6,9H,4-5,7-8H2
InChIKeyIMYOBVBOXOXYHU-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-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-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole (CID 65126386) is 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole is ClCc1csc(CCOCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole?
The InChIKey is IMYOBVBOXOXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c14-7-12-9-18-13(16-12)4-5-17-8-10-2-1-3-11(15)6-10/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole has a molecular weight of 302.23 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 65126386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).