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

C7H6N4O2S — CID 102790092

IUPAC5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2sccc2N)n1
InChIInChI=1S/C7H6N4O2S/c8-3-1-2-14-4(3)7-10-6(5(9)12)11-13-7/h1-2H,8H2,(H2,9,12)
InChIKeyQHBMUEQISYWYJZ-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.48
Rot. Bonds2

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

5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790092) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790092
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(-c2sccc2N)n1
InChIInChI=1S/C7H6N4O2S/c8-3-1-2-14-4(3)7-10-6(5(9)12)11-13-7/h1-2H,8H2,(H2,9,12)
InChIKeyQHBMUEQISYWYJZ-UHFFFAOYSA-N
XLogP0.48
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-cyanothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 106527841
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 29034351
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
5-(3-amino-2-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790109
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
5-(5-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790204
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65130994
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 62329730
5-(5-amino-2,3-dimethylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790237
5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxamide
CID 126666922
5-(2-amino-1,3-benzothiazol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790116

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide (CID 102790092) is 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(-c2sccc2N)n1.
What is the InChIKey of 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QHBMUEQISYWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c8-3-1-2-14-4(3)7-10-6(5(9)12)11-13-7/h1-2H,8H2,(H2,9,12).
What are the key properties of 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 210.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminothiophen-2-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).