2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole

C23H21NO2S — CID 15050005

IUPAC2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole
SMILESCOC(C)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H21NO2S/c1-23(25-2,22-24-12-13-27-22)20-8-5-9-21(15-20)26-16-17-10-11-18-6-3-4-7-19(18)14-17/h3-15H,16H2,1-2H3
InChIKeyOXJFHHZLINJDQD-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.79
Rot. Bonds6

About 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole

2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole (PubChem CID 15050005) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole
PubChem CID15050005
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole
SMILESCOC(C)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H21NO2S/c1-23(25-2,22-24-12-13-27-22)20-8-5-9-21(15-20)26-16-17-10-11-18-6-3-4-7-19(18)14-17/h3-15H,16H2,1-2H3
InChIKeyOXJFHHZLINJDQD-UHFFFAOYSA-N
XLogP5.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole (CID 15050005) is 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole is COC(C)(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole?
The InChIKey is OXJFHHZLINJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-23(25-2,22-24-12-13-27-22)20-8-5-9-21(15-20)26-16-17-10-11-18-6-3-4-7-19(18)14-17/h3-15H,16H2,1-2H3.
What are the key properties of 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole?
2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole has a molecular weight of 375.49 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]ethyl]-1,3-thiazole is sourced from PubChem (CID 15050005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).