2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H8BrN5O4S2 — CID 3706333

IUPAC2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H8BrN5O4S2/c15-9-4-3-7(23-9)11-19-20(14(22)24-11)6-10(21)16-13-18-17-12(26-13)8-2-1-5-25-8/h1-5H,6H2,(H,16,18,21)
InChIKeyWEZUAKITERYUOK-UHFFFAOYSA-N
MW454.29 g/mol
LogP3.08
Rot. Bonds5

About 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3706333) has the molecular formula C14H8BrN5O4S2 and a molecular weight of 454.29 g/mol. Its IUPAC name is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3706333
Molecular FormulaC14H8BrN5O4S2
Molecular Weight454.29 g/mol
Exact Mass452.92
IUPAC Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C14H8BrN5O4S2/c15-9-4-3-7(23-9)11-19-20(14(22)24-11)6-10(21)16-13-18-17-12(26-13)8-2-1-5-25-8/h1-5H,6H2,(H,16,18,21)
InChIKeyWEZUAKITERYUOK-UHFFFAOYSA-N
XLogP3.08
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 3810645
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
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2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
methyl 4,5-dimethyl-2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 27144348
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 3323079
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 3757284
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CID 34006331

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3706333) is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WEZUAKITERYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN5O4S2/c15-9-4-3-7(23-9)11-19-20(14(22)24-11)6-10(21)16-13-18-17-12(26-13)8-2-1-5-25-8/h1-5H,6H2,(H,16,18,21).
What are the key properties of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 454.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3706333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).