N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide

C16H14N2O2S — CID 830442

IUPACN-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-16-18-14(10-21-16)9-20-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyHPILOVFFMZYQGM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 830442) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID830442
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-16-18-14(10-21-16)9-20-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyHPILOVFFMZYQGM-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide (CID 830442) is N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HPILOVFFMZYQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11(19)17-16-18-14(10-21-16)9-20-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-2-yloxymethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 830442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).