5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide

C11H11BrN4O2S — CID 107963749

IUPAC5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1csc(Br)c1
InChIInChI=1S/C11H11BrN4O2S/c12-8-4-6(5-19-8)9(17)14-11-16-15-10(18-11)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H,14,16,17)
InChIKeyFYCJIIAONDEXRA-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide

5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 107963749) has the molecular formula C11H11BrN4O2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
PubChem CID107963749
Molecular FormulaC11H11BrN4O2S
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC Name5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1csc(Br)c1
InChIInChI=1S/C11H11BrN4O2S/c12-8-4-6(5-19-8)9(17)14-11-16-15-10(18-11)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H,14,16,17)
InChIKeyFYCJIIAONDEXRA-UHFFFAOYSA-N
XLogP2.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703521
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703119
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703172
3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703133
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
CID 102703292
4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 107016102
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 102703484
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703455
4-ethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 102703524
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide (CID 107963749) is 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is FYCJIIAONDEXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S/c12-8-4-6(5-19-8)9(17)14-11-16-15-10(18-11)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H,14,16,17).
What are the key properties of 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide?
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107963749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).