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

C13H16N4S — CID 103506256

IUPAC3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCC(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C13H16N4S/c1-8(2)9-3-4-17(7-9)13-10(5-14)12(16)11(6-15)18-13/h8-9H,3-4,7,16H2,1-2H3
InChIKeyYPMWHYUKMLLERZ-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.56
Rot. Bonds2

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

3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile (PubChem CID 103506256) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
PubChem CID103506256
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
SMILESCC(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1
InChIInChI=1S/C13H16N4S/c1-8(2)9-3-4-17(7-9)13-10(5-14)12(16)11(6-15)18-13/h8-9H,3-4,7,16H2,1-2H3
InChIKeyYPMWHYUKMLLERZ-UHFFFAOYSA-N
XLogP2.56
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103509706
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
ethyl 4-amino-5-cyano-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxylate
CID 103506248
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506699
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
CID 102162761
3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103418511
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarbonitrile
CID 103418394
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile (CID 103506256) is 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile is CC(C)C1CCN(c2sc(C#N)c(N)c2C#N)C1.
What is the InChIKey of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
The InChIKey is YPMWHYUKMLLERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8(2)9-3-4-17(7-9)13-10(5-14)12(16)11(6-15)18-13/h8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile?
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile has a molecular weight of 260.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 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-dicarbonitrile is sourced from PubChem (CID 103506256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).