2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole

C24H23NO2S — CID 10362915

IUPAC2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole
SMILESCCC(OC)(c1cccc(COc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-10-6-7-18(15-21)17-27-22-12-11-19-8-4-5-9-20(19)16-22/h4-16H,3,17H2,1-2H3
InChIKeyPUPVWNFTYYLOLM-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.18
Rot. Bonds7

About 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole

2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole (PubChem CID 10362915) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole
PubChem CID10362915
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole
SMILESCCC(OC)(c1cccc(COc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-10-6-7-18(15-21)17-27-22-12-11-19-8-4-5-9-20(19)16-22/h4-16H,3,17H2,1-2H3
InChIKeyPUPVWNFTYYLOLM-UHFFFAOYSA-N
XLogP6.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.18
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-yloxymethyl)phenyl]propyl]-1,3-thiazole?
The IUPAC name of 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole (CID 10362915) is 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole?
The canonical SMILES for 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole is CCC(OC)(c1cccc(COc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole?
The InChIKey is PUPVWNFTYYLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-10-6-7-18(15-21)17-27-22-12-11-19-8-4-5-9-20(19)16-22/h4-16H,3,17H2,1-2H3.
What are the key properties of 2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole?
2-[1-methoxy-1-[3-(naphthalen-2-yloxymethyl)phenyl]propyl]-1,3-thiazole has a molecular weight of 389.52 g/mol, XLogP of 6.18, 7 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-yloxymethyl)phenyl]propyl]-1,3-thiazole is sourced from PubChem (CID 10362915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).