3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide

C11H17N5O2S — CID 103525709

IUPAC3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N2CCC(N)C2)c(C(N)=O)c1N
InChIInChI=1S/C11H17N5O2S/c1-15-10(18)8-7(13)6(9(14)17)11(19-8)16-3-2-5(12)4-16/h5H,2-4,12-13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyOHQYSOYBCCUTKQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.67
Rot. Bonds3

About 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide

3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide (PubChem CID 103525709) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
PubChem CID103525709
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N2CCC(N)C2)c(C(N)=O)c1N
InChIInChI=1S/C11H17N5O2S/c1-15-10(18)8-7(13)6(9(14)17)11(19-8)16-3-2-5(12)4-16/h5H,2-4,12-13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyOHQYSOYBCCUTKQ-UHFFFAOYSA-N
XLogP-0.67
TPSA127.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
methyl 4-amino-2-(3-aminopyrrolidin-1-yl)-5-(ethylcarbamoyl)thiophene-3-carboxylate
CID 103525739
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506307
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421986
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103506286
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide (CID 103525709) is 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide is CNC(=O)c1sc(N2CCC(N)C2)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide?
The InChIKey is OHQYSOYBCCUTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-15-10(18)8-7(13)6(9(14)17)11(19-8)16-3-2-5(12)4-16/h5H,2-4,12-13H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide?
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide has a molecular weight of 283.36 g/mol, XLogP of -0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103525709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).