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

C11H9Cl2NO2S — CID 80687231

IUPAC4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole
SMILESCOc1ccccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C11H9Cl2NO2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(13)9(6-12)17-11/h2-5H,6H2,1H3
InChIKeyITIKGCIIIGGKKP-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.34
Rot. Bonds4

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

4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole (PubChem CID 80687231) has the molecular formula C11H9Cl2NO2S and a molecular weight of 290.17 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole
PubChem CID80687231
Molecular FormulaC11H9Cl2NO2S
Molecular Weight290.17 g/mol
Exact Mass288.97
IUPAC Name4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole
SMILESCOc1ccccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C11H9Cl2NO2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(13)9(6-12)17-11/h2-5H,6H2,1H3
InChIKeyITIKGCIIIGGKKP-UHFFFAOYSA-N
XLogP4.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-(4-fluorophenoxy)-5-methyl-1,3-thiazole
CID 170408959
4-Chloro-2-(4-fluorophenoxy)-5-thiazolemethanol
CID 73012733
4-Chloro-5-chloromethyl-2-(2,4-difluorophenoxy)thiazole
CID 73012762
4-Chloro-5-chloromethyl-2-(4-fluorophenoxy)thiazole
CID 73012764
4-Chloro-5-(chloromethyl)-2-(2-fluorophenoxy)-1,3-thiazole
CID 79016699
4-Chloro-5-(chloromethyl)-2-(3-fluorophenoxy)-1,3-thiazole
CID 79016781
[4-Chloro-2-(3-fluorophenoxy)-1,3-thiazol-5-yl]methanol
CID 79016783
4-Chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)-1,3-thiazole
CID 79016862
[4-Chloro-2-(2-fluorophenoxy)-1,3-thiazol-5-yl]methanol
CID 79017023
4-Chloro-2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-thiazole
CID 80687148
4-Chloro-5-(chloromethyl)-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole
CID 80687690
4-Chloro-5-(chloromethyl)-2-(3,5-difluorophenoxy)-1,3-thiazole
CID 80688157

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole (CID 80687231) is 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole is COc1ccccc1Oc1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole?
The InChIKey is ITIKGCIIIGGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(13)9(6-12)17-11/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole has a molecular weight of 290.17 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 80687231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).