2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole

C13H15NOS — CID 173195232

IUPAC2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
SMILESCc1ccc(OCCc2nccs2)cc1C
InChIInChI=1S/C13H15NOS/c1-10-3-4-12(9-11(10)2)15-7-5-13-14-6-8-16-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyPQSSLLDJXJIVMX-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.38
Rot. Bonds4

About 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole

2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole (PubChem CID 173195232) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
PubChem CID173195232
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole
SMILESCc1ccc(OCCc2nccs2)cc1C
InChIInChI=1S/C13H15NOS/c1-10-3-4-12(9-11(10)2)15-7-5-13-14-6-8-16-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyPQSSLLDJXJIVMX-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole (CID 173195232) is 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole is Cc1ccc(OCCc2nccs2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole?
The InChIKey is PQSSLLDJXJIVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-3-4-12(9-11(10)2)15-7-5-13-14-6-8-16-13/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole?
2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 173195232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).