3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

C12H20N4O3S — CID 103417765

IUPAC3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCOCCN(C)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C12H20N4O3S/c1-15(2)11(18)9-8(13)7(10(14)17)12(20-9)16(3)5-6-19-4/h5-6,13H2,1-4H3,(H2,14,17)
InChIKeyVZSCJONVURGRRR-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.21
Rot. Bonds6

About 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (PubChem CID 103417765) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
PubChem CID103417765
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCOCCN(C)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C12H20N4O3S/c1-15(2)11(18)9-8(13)7(10(14)17)12(20-9)16(3)5-6-19-4/h5-6,13H2,1-4H3,(H2,14,17)
InChIKeyVZSCJONVURGRRR-UHFFFAOYSA-N
XLogP0.21
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 155525800
4-amino-5-[(Z)-3-amino-2-cyanobut-2-enoyl]-2-morpholin-4-ylthiophene-3-carbonitrile
CID 164666746
3-amino-4-cyano-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422818
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
CID 103422819
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103422820
3-Amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422825
5-Acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422841
5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422845
3-amino-4-cyano-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422848
3-amino-4-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
CID 103422856
3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
CID 103422859
3-amino-2-N-ethyl-4-N-methyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425780

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (CID 103417765) is 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is COCCN(C)c1sc(C(=O)N(C)C)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The InChIKey is VZSCJONVURGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(2)11(18)9-8(13)7(10(14)17)12(20-9)16(3)5-6-19-4/h5-6,13H2,1-4H3,(H2,14,17).
What are the key properties of 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).