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

C22H19NO2S — CID 15050004

IUPAC2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
SMILESCOC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3
InChIKeyXUMOXZBAIWUITO-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.61
Rot. Bonds6

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

2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole (PubChem CID 15050004) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
PubChem CID15050004
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
SMILESCOC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3
InChIKeyXUMOXZBAIWUITO-UHFFFAOYSA-N
XLogP5.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole (CID 15050004) is 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole is COC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The InChIKey is XUMOXZBAIWUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3.
What are the key properties of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole has a molecular weight of 361.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 15050004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).