4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile

C10H11F2N3OS — CID 103505783

IUPAC4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C10H11F2N3OS/c1-2-6(16)9-8(14)5(3-13)10(17-9)15-4-7(11)12/h7,15H,2,4,14H2,1H3
InChIKeyLHMOBONPKJGWJI-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile

4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile (PubChem CID 103505783) has the molecular formula C10H11F2N3OS and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile
PubChem CID103505783
Molecular FormulaC10H11F2N3OS
Molecular Weight259.28 g/mol
Exact Mass259.06
IUPAC Name4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C10H11F2N3OS/c1-2-6(16)9-8(14)5(3-13)10(17-9)15-4-7(11)12/h7,15H,2,4,14H2,1H3
InChIKeyLHMOBONPKJGWJI-UHFFFAOYSA-N
XLogP2.47
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-(cyclopropylcarbonyl)-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 658011
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
5-Acetyl-4-amino-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647778
2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile
CID 2216908
4-Amino-5-benzoyl-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647802
4-Amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 1830773
4-Amino-5-but-3-enoyl-2-(methylamino)thiophene-3-carbonitrile
CID 721976
4-Amino-2-(ethylamino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 912882
4-Amino-5-(4-fluorobenzoyl)-2-(methylamino)thiophene-3-carbonitrile
CID 1507592
5-Acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
CID 911669
4-Amino-2-(ethylamino)-5-(4-methylbenzoyl)thiophene-3-carbonitrile
CID 3701351
4-amino-5-[(Z)-3-amino-2-cyanobut-2-enoyl]-2-morpholin-4-ylthiophene-3-carbonitrile
CID 164666746

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile (CID 103505783) is 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile is CCC(=O)c1sc(NCC(F)F)c(C#N)c1N.
What is the InChIKey of 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile?
The InChIKey is LHMOBONPKJGWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3OS/c1-2-6(16)9-8(14)5(3-13)10(17-9)15-4-7(11)12/h7,15H,2,4,14H2,1H3.
What are the key properties of 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile?
4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile has a molecular weight of 259.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-difluoroethylamino)-5-propanoylthiophene-3-carbonitrile is sourced from PubChem (CID 103505783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).