3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide

C13H20N4O2S — CID 103506307

IUPAC3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCC(C)C1CCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1
InChIInChI=1S/C13H20N4O2S/c1-6(2)7-3-4-17(5-7)13-8(11(15)18)9(14)10(20-13)12(16)19/h6-7H,3-5,14H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyCGRVAEABNJTABU-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.01
Rot. Bonds4

About 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide

3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide (PubChem CID 103506307) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
PubChem CID103506307
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
SMILESCC(C)C1CCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1
InChIInChI=1S/C13H20N4O2S/c1-6(2)7-3-4-17(5-7)13-8(11(15)18)9(14)10(20-13)12(16)19/h6-7H,3-5,14H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyCGRVAEABNJTABU-UHFFFAOYSA-N
XLogP1.01
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4-propan-2-ylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103526786
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103506286
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
3-amino-5-(3-aminopyrrolidin-1-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 103525709
methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
methyl 4-amino-5-carbamoyl-2-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 103421979
ethyl 3-amino-4-methylsulfanyl-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506287
ethyl 4-amino-5-cyano-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxylate
CID 103506248
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide (CID 103506307) is 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide is CC(C)C1CCN(c2sc(C(N)=O)c(N)c2C(N)=O)C1.
What is the InChIKey of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
The InChIKey is CGRVAEABNJTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-6(2)7-3-4-17(5-7)13-8(11(15)18)9(14)10(20-13)12(16)19/h6-7H,3-5,14H2,1-2H3,(H2,15,18)(H2,16,19).
What are the key properties of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide?
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103506307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).