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

C12H9Cl2NS — CID 3879265

IUPAC4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole
SMILESClCc1csc(C=Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9Cl2NS/c13-7-11-8-16-12(15-11)6-3-9-1-4-10(14)5-2-9/h1-6,8H,7H2
InChIKeyPEUSCNNFYIEYGB-UHFFFAOYSA-N
MW270.18 g/mol
LogP4.71
Rot. Bonds3

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

4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole (PubChem CID 3879265) has the molecular formula C12H9Cl2NS and a molecular weight of 270.18 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole
PubChem CID3879265
Molecular FormulaC12H9Cl2NS
Molecular Weight270.18 g/mol
Exact Mass268.98
IUPAC Name4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole
SMILESClCc1csc(C=Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9Cl2NS/c13-7-11-8-16-12(15-11)6-3-9-1-4-10(14)5-2-9/h1-6,8H,7H2
InChIKeyPEUSCNNFYIEYGB-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole (CID 3879265) is 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole is ClCc1csc(C=Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole?
The InChIKey is PEUSCNNFYIEYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NS/c13-7-11-8-16-12(15-11)6-3-9-1-4-10(14)5-2-9/h1-6,8H,7H2.
What are the key properties of 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole has a molecular weight of 270.18 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(4-chlorophenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 3879265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).