4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole

C14H16ClNS — CID 82091892

IUPAC4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(C)c(-c2nc(CCl)cs2)c1C
InChIInChI=1S/C14H16ClNS/c1-8-5-9(2)11(4)13(10(8)3)14-16-12(6-15)7-17-14/h5,7H,6H2,1-4H3
InChIKeyLGIKZJSBAZZPAD-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.78
Rot. Bonds2

About 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole

4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole (PubChem CID 82091892) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
PubChem CID82091892
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(C)c(-c2nc(CCl)cs2)c1C
InChIInChI=1S/C14H16ClNS/c1-8-5-9(2)11(4)13(10(8)3)14-16-12(6-15)7-17-14/h5,7H,6H2,1-4H3
InChIKeyLGIKZJSBAZZPAD-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.78
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-(2,3,5,6-tetramethylphenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole (CID 82091892) is 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole is Cc1cc(C)c(C)c(-c2nc(CCl)cs2)c1C.
What is the InChIKey of 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole?
The InChIKey is LGIKZJSBAZZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-8-5-9(2)11(4)13(10(8)3)14-16-12(6-15)7-17-14/h5,7H,6H2,1-4H3.
What are the key properties of 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole?
4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole has a molecular weight of 265.81 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole is sourced from PubChem (CID 82091892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).