5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole

C10H6Cl3NS — CID 28710076

IUPAC5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESClCc1scnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3NS/c11-4-9-10(14-5-15-9)6-1-2-7(12)8(13)3-6/h1-3,5H,4H2
InChIKeyUBGMUEMVEYMGFT-UHFFFAOYSA-N
MW278.59 g/mol
LogP4.86
Rot. Bonds2

About 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole

5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole (PubChem CID 28710076) has the molecular formula C10H6Cl3NS and a molecular weight of 278.59 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
PubChem CID28710076
Molecular FormulaC10H6Cl3NS
Molecular Weight278.59 g/mol
Exact Mass276.93
IUPAC Name5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
SMILESClCc1scnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3NS/c11-4-9-10(14-5-15-9)6-1-2-7(12)8(13)3-6/h1-3,5H,4H2
InChIKeyUBGMUEMVEYMGFT-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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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole (CID 28710076) is 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole is ClCc1scnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is UBGMUEMVEYMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NS/c11-4-9-10(14-5-15-9)6-1-2-7(12)8(13)3-6/h1-3,5H,4H2.
What are the key properties of 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole?
5-(chloromethyl)-4-(3,4-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 5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 28710076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).