5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide

C8H4N4O2S — CID 106527841

IUPAC5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccsc1-c1nc(C(N)=O)no1
InChIInChI=1S/C8H4N4O2S/c9-3-4-1-2-15-5(4)8-11-7(6(10)13)12-14-8/h1-2H,(H2,10,13)
InChIKeyFJDOMGKOPZZWTP-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.77
Rot. Bonds2

About 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide

5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106527841) has the molecular formula C8H4N4O2S and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID106527841
Molecular FormulaC8H4N4O2S
Molecular Weight220.21 g/mol
Exact Mass220.01
IUPAC Name5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccsc1-c1nc(C(N)=O)no1
InChIInChI=1S/C8H4N4O2S/c9-3-4-1-2-15-5(4)8-11-7(6(10)13)12-14-8/h1-2H,(H2,10,13)
InChIKeyFJDOMGKOPZZWTP-UHFFFAOYSA-N
XLogP0.77
TPSA105.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790092
5-(5-cyano-1H-pyrrol-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 136771154
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524503
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524025
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106526006
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670
2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677302
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
5-(5-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790204

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 106527841) is 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide is N#Cc1ccsc1-c1nc(C(N)=O)no1.
What is the InChIKey of 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FJDOMGKOPZZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2S/c9-3-4-1-2-15-5(4)8-11-7(6(10)13)12-14-8/h1-2H,(H2,10,13).
What are the key properties of 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 220.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106527841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).