4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

C11H9ClFNOS — CID 7131053

IUPAC4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(CCl)cs2)cc1
InChIInChI=1S/C11H9ClFNOS/c12-5-9-7-16-11(14-9)6-15-10-3-1-8(13)2-4-10/h1-4,7H,5-6H2
InChIKeyZPWHNYPDMVGDOC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.60
Rot. Bonds4

About 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 7131053) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID7131053
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(CCl)cs2)cc1
InChIInChI=1S/C11H9ClFNOS/c12-5-9-7-16-11(14-9)6-15-10-3-1-8(13)2-4-10/h1-4,7H,5-6H2
InChIKeyZPWHNYPDMVGDOC-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (CID 7131053) is 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(OCc2nc(CCl)cs2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is ZPWHNYPDMVGDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-5-9-7-16-11(14-9)6-15-10-3-1-8(13)2-4-10/h1-4,7H,5-6H2.
What are the key properties of 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 7131053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).