4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide

C11H14N4O2S — CID 80527456

IUPAC4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1nonc1N)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-11(2,7-4-3-5-18-7)6-13-10(16)8-9(12)15-17-14-8/h3-5H,6H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPDQUBTUNKOOPHH-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 80527456) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID80527456
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1nonc1N)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-11(2,7-4-3-5-18-7)6-13-10(16)8-9(12)15-17-14-8/h3-5H,6H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyPDQUBTUNKOOPHH-UHFFFAOYSA-N
XLogP1.42
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104742615
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridazine-3-carboxamide
CID 80527740
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
4-amino-1-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
CID 80526910

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide (CID 80527456) is 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide is CC(C)(CNC(=O)c1nonc1N)c1cccs1.
What is the InChIKey of 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PDQUBTUNKOOPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(2,7-4-3-5-18-7)6-13-10(16)8-9(12)15-17-14-8/h3-5H,6H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 80527456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).