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

C20H14BrN3O2S — CID 100535229

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H14BrN3O2S/c21-18-15-9-5-4-6-13(15)10-11-16(18)26-12-17(25)22-20-24-23-19(27-20)14-7-2-1-3-8-14/h1-11H,12H2,(H,22,24,25)
InChIKeyFLYVDUHBEOEFBS-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.14
Rot. Bonds5

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

2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 100535229) has the molecular formula C20H14BrN3O2S and a molecular weight of 440.32 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID100535229
Molecular FormulaC20H14BrN3O2S
Molecular Weight440.32 g/mol
Exact Mass439.00
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H14BrN3O2S/c21-18-15-9-5-4-6-13(15)10-11-16(18)26-12-17(25)22-20-24-23-19(27-20)14-7-2-1-3-8-14/h1-11H,12H2,(H,22,24,25)
InChIKeyFLYVDUHBEOEFBS-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 37027363
2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 92546675
2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 54783479
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 100535229) is 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc2ccccc2c1Br)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FLYVDUHBEOEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2S/c21-18-15-9-5-4-6-13(15)10-11-16(18)26-12-17(25)22-20-24-23-19(27-20)14-7-2-1-3-8-14/h1-11H,12H2,(H,22,24,25).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 440.32 g/mol, XLogP of 5.14, 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-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 100535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).