5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole

C11H9ClFNS — CID 82084790

IUPAC5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2F)sc1CCl
InChIInChI=1S/C11H9ClFNS/c1-7-10(6-12)15-11(14-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3
InChIKeyJEXBXYYIOYQHJA-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.00
Rot. Bonds2

About 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole

5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 82084790) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID82084790
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2F)sc1CCl
InChIInChI=1S/C11H9ClFNS/c1-7-10(6-12)15-11(14-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3
InChIKeyJEXBXYYIOYQHJA-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.00
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)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole (CID 82084790) is 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccccc2F)sc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is JEXBXYYIOYQHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c1-7-10(6-12)15-11(14-7)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole?
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 241.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82084790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).