3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide

C13H16N4O2S2 — CID 103427267

IUPAC3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCc2cccs2)c(C(=O)NC)c1N
InChIInChI=1S/C13H16N4O2S2/c1-15-11(18)8-9(14)10(12(19)16-2)21-13(8)17-6-7-4-3-5-20-7/h3-5,17H,6,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXEUQZXNRLLBUDS-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide

3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103427267) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
PubChem CID103427267
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCc2cccs2)c(C(=O)NC)c1N
InChIInChI=1S/C13H16N4O2S2/c1-15-11(18)8-9(14)10(12(19)16-2)21-13(8)17-6-7-4-3-5-20-7/h3-5,17H,6,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyXEUQZXNRLLBUDS-UHFFFAOYSA-N
XLogP1.72
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
CID 103427207
methyl 4-amino-5-carbamoyl-2-(thiophen-2-ylmethylamino)thiophene-3-carboxylate
CID 103427232
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
CID 103427234
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103506882
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5140977
ethyl 4-[[2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate;hydrochloride
CID 163325865
methyl 2-amino-3-(thiophen-2-ylmethylamino)benzoate
CID 113332550
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide (CID 103427267) is 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide is CNC(=O)c1sc(NCc2cccs2)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is XEUQZXNRLLBUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-15-11(18)8-9(14)10(12(19)16-2)21-13(8)17-6-7-4-3-5-20-7/h3-5,17H,6,14H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).