5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

C9H10N4O2S — CID 102790421

IUPAC5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2cc(C)sc2N)n1
InChIInChI=1S/C9H10N4O2S/c1-4-3-5(6(10)16-4)9-12-7(13-15-9)8(14)11-2/h3H,10H2,1-2H3,(H,11,14)
InChIKeyNQQQQVINCWJOQK-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.05
Rot. Bonds2

About 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790421) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790421
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2cc(C)sc2N)n1
InChIInChI=1S/C9H10N4O2S/c1-4-3-5(6(10)16-4)9-12-7(13-15-9)8(14)11-2/h3H,10H2,1-2H3,(H,11,14)
InChIKeyNQQQQVINCWJOQK-UHFFFAOYSA-N
XLogP1.05
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631981
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 63618214
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63618388
5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63617375
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
5-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63618217
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 79659035
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617374
5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401023

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790421) is 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(-c2cc(C)sc2N)n1.
What is the InChIKey of 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NQQQQVINCWJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-4-3-5(6(10)16-4)9-12-7(13-15-9)8(14)11-2/h3H,10H2,1-2H3,(H,11,14).
What are the key properties of 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).