3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide

C13H11BrN4O2S — CID 106410237

IUPAC3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCCc2ncon2)sc2ccc(Br)cc12
InChIInChI=1S/C13H11BrN4O2S/c14-7-1-2-9-8(5-7)11(15)12(21-9)13(19)16-4-3-10-17-6-20-18-10/h1-2,5-6H,3-4,15H2,(H,16,19)
InChIKeyYZUZMJGAMMKJMX-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 106410237) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID106410237
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCCc2ncon2)sc2ccc(Br)cc12
InChIInChI=1S/C13H11BrN4O2S/c14-7-1-2-9-8(5-7)11(15)12(21-9)13(19)16-4-3-10-17-6-20-18-10/h1-2,5-6H,3-4,15H2,(H,16,19)
InChIKeyYZUZMJGAMMKJMX-UHFFFAOYSA-N
XLogP2.60
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106410197
3-amino-4-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410244
3-amino-5-bromo-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107854956
3-amino-5-bromo-N-(4-methylsulfanylbutyl)-1-benzothiophene-2-carboxamide
CID 114896782
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182830
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106410215
3-amino-5-bromo-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114896598
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
3-amino-6-bromo-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 114907967
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114896688

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 106410237) is 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCCc2ncon2)sc2ccc(Br)cc12.
What is the InChIKey of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YZUZMJGAMMKJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c14-7-1-2-9-8(5-7)11(15)12(21-9)13(19)16-4-3-10-17-6-20-18-10/h1-2,5-6H,3-4,15H2,(H,16,19).
What are the key properties of 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106410237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).