2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole

C11H10ClNOS — CID 117188243

IUPAC2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(COc2cccc(Cl)c2)s1
InChIInChI=1S/C11H10ClNOS/c1-8-6-13-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3
InChIKeyOJJYIHNTPJWXLM-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.68
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole

2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole (PubChem CID 117188243) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole
PubChem CID117188243
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(COc2cccc(Cl)c2)s1
InChIInChI=1S/C11H10ClNOS/c1-8-6-13-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3
InChIKeyOJJYIHNTPJWXLM-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole (CID 117188243) is 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole is Cc1cnc(COc2cccc(Cl)c2)s1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole?
The InChIKey is OJJYIHNTPJWXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-8-6-13-11(15-8)7-14-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole?
2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole has a molecular weight of 239.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 117188243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).