2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C16H14BrN3O2S — CID 37027363

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc3ccccc3c2Br)s1
InChIInChI=1S/C16H14BrN3O2S/c1-2-14-19-20-16(23-14)18-13(21)9-22-12-8-7-10-5-3-4-6-11(10)15(12)17/h3-8H,2,9H2,1H3,(H,18,20,21)
InChIKeyDIBDREBTDFQQEV-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.03
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 37027363) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID37027363
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc3ccccc3c2Br)s1
InChIInChI=1S/C16H14BrN3O2S/c1-2-14-19-20-16(23-14)18-13(21)9-22-12-8-7-10-5-3-4-6-11(10)15(12)17/h3-8H,2,9H2,1H3,(H,18,20,21)
InChIKeyDIBDREBTDFQQEV-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100535229
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19175891
2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 54783479
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178155
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 37027363) is 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)COc2ccc3ccccc3c2Br)s1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DIBDREBTDFQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-2-14-19-20-16(23-14)18-13(21)9-22-12-8-7-10-5-3-4-6-11(10)15(12)17/h3-8H,2,9H2,1H3,(H,18,20,21).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 392.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 37027363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).