5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide

C10H10BrN3O2S — CID 103744068

IUPAC5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ncno2)sc1Br
InChIInChI=1S/C10H10BrN3O2S/c1-6-4-7(17-9(6)11)10(15)12-3-2-8-13-5-14-16-8/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyUSDWIEUTIYDEDN-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.17
Rot. Bonds4

About 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 103744068) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID103744068
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCc2ncno2)sc1Br
InChIInChI=1S/C10H10BrN3O2S/c1-6-4-7(17-9(6)11)10(15)12-3-2-8-13-5-14-16-8/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyUSDWIEUTIYDEDN-UHFFFAOYSA-N
XLogP2.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide (CID 103744068) is 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCCc2ncno2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is USDWIEUTIYDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-6-4-7(17-9(6)11)10(15)12-3-2-8-13-5-14-16-8/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 316.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).