4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole

C14H15ClFNOS — CID 107659750

IUPAC4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole
SMILESCCC(Oc1cccc(C)c1F)c1nc(CCl)cs1
InChIInChI=1S/C14H15ClFNOS/c1-3-11(14-17-10(7-15)8-19-14)18-12-6-4-5-9(2)13(12)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyZDBFWRKRQSNEEQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.86
Rot. Bonds5

About 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole

4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole (PubChem CID 107659750) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole
PubChem CID107659750
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole
SMILESCCC(Oc1cccc(C)c1F)c1nc(CCl)cs1
InChIInChI=1S/C14H15ClFNOS/c1-3-11(14-17-10(7-15)8-19-14)18-12-6-4-5-9(2)13(12)16/h4-6,8,11H,3,7H2,1-2H3
InChIKeyZDBFWRKRQSNEEQ-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-[1-(1,1,1-trifluoropropan-2-yloxy)propyl]-1,3-thiazole
CID 66276349
4-(chloromethyl)-2-[1-(2-fluoro-5-methylphenoxy)ethyl]-1,3-thiazole
CID 64853477
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
CID 107656259
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene
CID 114065580

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole (CID 107659750) is 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole is CCC(Oc1cccc(C)c1F)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole?
The InChIKey is ZDBFWRKRQSNEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-3-11(14-17-10(7-15)8-19-14)18-12-6-4-5-9(2)13(12)16/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole has a molecular weight of 299.80 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[1-(2-fluoro-3-methylphenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 107659750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).