3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile

C10H10N4S — CID 102162761

IUPAC3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C10H10N4S/c11-5-7-9(13)8(6-12)15-10(7)14-3-1-2-4-14/h1-4,13H2
InChIKeyQKJUVIPXCHCHSA-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.67
Rot. Bonds1

About 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile

3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile (PubChem CID 102162761) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
PubChem CID102162761
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C10H10N4S/c11-5-7-9(13)8(6-12)15-10(7)14-3-1-2-4-14/h1-4,13H2
InChIKeyQKJUVIPXCHCHSA-UHFFFAOYSA-N
XLogP1.67
TPSA76.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarbonitrile
CID 103418394
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarbonitrile
CID 103419314
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103422892
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506699
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103509706
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103418511
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506256
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
3-amino-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carbonitrile
CID 103421786

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile (CID 102162761) is 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile is N#Cc1sc(N2CCCC2)c(C#N)c1N.
What is the InChIKey of 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile?
The InChIKey is QKJUVIPXCHCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c11-5-7-9(13)8(6-12)15-10(7)14-3-1-2-4-14/h1-4,13H2.
What are the key properties of 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile?
3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile has a molecular weight of 218.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyrrolidin-1-ylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 102162761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).