4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole

C10H6Cl2FNOS — CID 79016781

IUPAC4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole
SMILESFc1cccc(Oc2nc(Cl)c(CCl)s2)c1
InChIInChI=1S/C10H6Cl2FNOS/c11-5-8-9(12)14-10(16-8)15-7-3-1-2-6(13)4-7/h1-4H,5H2
InChIKeyIQRNTIVIBXWZGP-UHFFFAOYSA-N
MW278.13 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole

4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole (PubChem CID 79016781) has the molecular formula C10H6Cl2FNOS and a molecular weight of 278.13 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole
PubChem CID79016781
Molecular FormulaC10H6Cl2FNOS
Molecular Weight278.13 g/mol
Exact Mass276.95
IUPAC Name4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole
SMILESFc1cccc(Oc2nc(Cl)c(CCl)s2)c1
InChIInChI=1S/C10H6Cl2FNOS/c11-5-8-9(12)14-10(16-8)15-7-3-1-2-6(13)4-7/h1-4H,5H2
InChIKeyIQRNTIVIBXWZGP-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 54.47
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-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole (CID 79016781) is 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole is Fc1cccc(Oc2nc(Cl)c(CCl)s2)c1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole?
The InChIKey is IQRNTIVIBXWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNOS/c11-5-8-9(12)14-10(16-8)15-7-3-1-2-6(13)4-7/h1-4H,5H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole has a molecular weight of 278.13 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 79016781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).