1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone

C16H13NO2S — CID 115979015

IUPAC1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1cncs1
InChIInChI=1S/C16H13NO2S/c1-11(18)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-17-10-20-13/h2-8,10H,9H2,1H3
InChIKeyARGRLVWMRDXXKN-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.08
Rot. Bonds4

About 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone

1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone (PubChem CID 115979015) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
PubChem CID115979015
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1cncs1
InChIInChI=1S/C16H13NO2S/c1-11(18)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-17-10-20-13/h2-8,10H,9H2,1H3
InChIKeyARGRLVWMRDXXKN-UHFFFAOYSA-N
XLogP4.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone (CID 115979015) is 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCc1cncs1.
What is the InChIKey of 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone?
The InChIKey is ARGRLVWMRDXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-11(18)14-7-6-12-4-2-3-5-15(12)16(14)19-9-13-8-17-10-20-13/h2-8,10H,9H2,1H3.
What are the key properties of 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone?
1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone has a molecular weight of 283.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-5-ylmethoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 115979015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).