1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone

C9H10N4O2S — CID 106412894

IUPAC1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCc2ncon2)cc1N
InChIInChI=1S/C9H10N4O2S/c1-5(14)9-6(10)2-8(16-9)11-3-7-12-4-15-13-7/h2,4,11H,3,10H2,1H3
InChIKeyQPLIYYYNXWJZCU-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.53
Rot. Bonds4

About 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone

1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone (PubChem CID 106412894) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
PubChem CID106412894
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCc2ncon2)cc1N
InChIInChI=1S/C9H10N4O2S/c1-5(14)9-6(10)2-8(16-9)11-3-7-12-4-15-13-7/h2,4,11H,3,10H2,1H3
InChIKeyQPLIYYYNXWJZCU-UHFFFAOYSA-N
XLogP1.53
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106413075
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylic acid
CID 106407329
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
CID 106412968
1-[3-amino-5-[(1-ethylcyclobutyl)methylamino]thiophen-2-yl]ethanone
CID 114110179
ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 106411471
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone (CID 106412894) is 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone is CC(=O)c1sc(NCc2ncon2)cc1N.
What is the InChIKey of 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone?
The InChIKey is QPLIYYYNXWJZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5(14)9-6(10)2-8(16-9)11-3-7-12-4-15-13-7/h2,4,11H,3,10H2,1H3.
What are the key properties of 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone?
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone has a molecular weight of 238.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone is sourced from PubChem (CID 106412894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).