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

C11H8Cl2FNOS — CID 80687690

IUPAC4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole
SMILESCc1ccc(F)c(Oc2nc(Cl)c(CCl)s2)c1
InChIInChI=1S/C11H8Cl2FNOS/c1-6-2-3-7(14)8(4-6)16-11-15-10(13)9(5-12)17-11/h2-4H,5H2,1H3
InChIKeyKTTAEGIDHBIVTI-UHFFFAOYSA-N
MW292.16 g/mol
LogP4.78
Rot. Bonds3

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

4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole (PubChem CID 80687690) has the molecular formula C11H8Cl2FNOS and a molecular weight of 292.16 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole
PubChem CID80687690
Molecular FormulaC11H8Cl2FNOS
Molecular Weight292.16 g/mol
Exact Mass290.97
IUPAC Name4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole
SMILESCc1ccc(F)c(Oc2nc(Cl)c(CCl)s2)c1
InChIInChI=1S/C11H8Cl2FNOS/c1-6-2-3-7(14)8(4-6)16-11-15-10(13)9(5-12)17-11/h2-4H,5H2,1H3
InChIKeyKTTAEGIDHBIVTI-UHFFFAOYSA-N
XLogP4.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 54.78
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-(2-fluoro-5-methylphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole (CID 80687690) is 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole is Cc1ccc(F)c(Oc2nc(Cl)c(CCl)s2)c1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole?
The InChIKey is KTTAEGIDHBIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNOS/c1-6-2-3-7(14)8(4-6)16-11-15-10(13)9(5-12)17-11/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole has a molecular weight of 292.16 g/mol, XLogP of 4.78, 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-(2-fluoro-5-methylphenoxy)-1,3-thiazole is sourced from PubChem (CID 80687690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).