3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide

C9H13N3O2S — CID 103100919

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1sccc1N
InChIInChI=1S/C9H13N3O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5,10H2,1H3,(H2,11,13)
InChIKeyCIJJXYJOPPNZDP-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.28
Rot. Bonds4

About 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide

3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide (PubChem CID 103100919) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
PubChem CID103100919
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1sccc1N
InChIInChI=1S/C9H13N3O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5,10H2,1H3,(H2,11,13)
InChIKeyCIJJXYJOPPNZDP-UHFFFAOYSA-N
XLogP0.28
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61095580
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
CID 54987860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide (CID 103100919) is 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide is CCN(CC(N)=O)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide?
The InChIKey is CIJJXYJOPPNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5,10H2,1H3,(H2,11,13).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide?
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103100919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).