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

C10H5Cl2F2NOS — CID 79016862

IUPAC4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Cl)c(CCl)s2)cc1F
InChIInChI=1S/C10H5Cl2F2NOS/c11-4-8-9(12)15-10(17-8)16-5-1-2-6(13)7(14)3-5/h1-3H,4H2
InChIKeyDGBKEXWYMHPREH-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.61
Rot. Bonds3

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

4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole (PubChem CID 79016862) has the molecular formula C10H5Cl2F2NOS and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole
PubChem CID79016862
Molecular FormulaC10H5Cl2F2NOS
Molecular Weight296.13 g/mol
Exact Mass294.94
IUPAC Name4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole
SMILESFc1ccc(Oc2nc(Cl)c(CCl)s2)cc1F
InChIInChI=1S/C10H5Cl2F2NOS/c11-4-8-9(12)15-10(17-8)16-5-1-2-6(13)7(14)3-5/h1-3H,4H2
InChIKeyDGBKEXWYMHPREH-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.61
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-(3,4-difluorophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole (CID 79016862) is 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole is Fc1ccc(Oc2nc(Cl)c(CCl)s2)cc1F.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole?
The InChIKey is DGBKEXWYMHPREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2NOS/c11-4-8-9(12)15-10(17-8)16-5-1-2-6(13)7(14)3-5/h1-3H,4H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole has a molecular weight of 296.13 g/mol, XLogP of 4.61, 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-(3,4-difluorophenoxy)-1,3-thiazole is sourced from PubChem (CID 79016862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).