3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide

C9H14N4O2S — CID 103420269

IUPAC3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N(C)C)c(C(N)=O)c1N
InChIInChI=1S/C9H14N4O2S/c1-12-8(15)6-5(10)4(7(11)14)9(16-6)13(2)3/h10H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyHPYMYNFBMIATIJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.15
Rot. Bonds3

About 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide

3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide (PubChem CID 103420269) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
PubChem CID103420269
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N(C)C)c(C(N)=O)c1N
InChIInChI=1S/C9H14N4O2S/c1-12-8(15)6-5(10)4(7(11)14)9(16-6)13(2)3/h10H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyHPYMYNFBMIATIJ-UHFFFAOYSA-N
XLogP-0.15
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103420209
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
CID 103509461
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
CID 103507417
ethyl 4-amino-2-(dimethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103420145
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide (CID 103420269) is 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide is CNC(=O)c1sc(N(C)C)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The InChIKey is HPYMYNFBMIATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-12-8(15)6-5(10)4(7(11)14)9(16-6)13(2)3/h10H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide has a molecular weight of 242.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).