4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole

C10H6Cl3NS — CID 43140319

IUPAC4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole
SMILESClCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H6Cl3NS/c11-4-6-5-15-10(14-6)9-7(12)2-1-3-8(9)13/h1-3,5H,4H2
InChIKeyFZLRHDRKBPZOJQ-UHFFFAOYSA-N
MW278.59 g/mol
LogP4.86
Rot. Bonds2

About 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole

4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole (PubChem CID 43140319) has the molecular formula C10H6Cl3NS and a molecular weight of 278.59 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole
PubChem CID43140319
Molecular FormulaC10H6Cl3NS
Molecular Weight278.59 g/mol
Exact Mass276.93
IUPAC Name4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole
SMILESClCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H6Cl3NS/c11-4-6-5-15-10(14-6)9-7(12)2-1-3-8(9)13/h1-3,5H,4H2
InChIKeyFZLRHDRKBPZOJQ-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 610297
4-(Chloromethyl)-2-(4-ethylphenyl)-1,3-thiazole hydrochloride
CID 15945191
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
2-Chloro-4-phenylthiazole
CID 2761359
[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-(Chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
CID 2063595
4-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
4-(4-Chloro-phenyl)-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-thiazole
CID 11957319
2-(3-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71461520
2-(2,3-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71463263

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole (CID 43140319) is 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole is ClCc1csc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole?
The InChIKey is FZLRHDRKBPZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NS/c11-4-6-5-15-10(14-6)9-7(12)2-1-3-8(9)13/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole has a molecular weight of 278.59 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,6-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 43140319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).