4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile

C11H13F2N3OS — CID 103505692

IUPAC4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C11H13F2N3OS/c1-5(2)9(17)10-8(15)6(3-14)11(18-10)16-4-7(12)13/h5,7,16H,4,15H2,1-2H3
InChIKeyMQVHIYZGSDUMGP-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.72
Rot. Bonds5

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

4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (PubChem CID 103505692) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
PubChem CID103505692
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C11H13F2N3OS/c1-5(2)9(17)10-8(15)6(3-14)11(18-10)16-4-7(12)13/h5,7,16H,4,15H2,1-2H3
InChIKeyMQVHIYZGSDUMGP-UHFFFAOYSA-N
XLogP2.72
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-Acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
CID 911669
4-amino-5-[(Z)-3-amino-2-cyanobut-2-enoyl]-2-morpholin-4-ylthiophene-3-carbonitrile
CID 164666746
4-Amino-5-(4-fluorobenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 43831081
5-Acetyl-4-amino-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 103417622

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile (CID 103505692) is 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile is CC(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N.
What is the InChIKey of 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The InChIKey is MQVHIYZGSDUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c1-5(2)9(17)10-8(15)6(3-14)11(18-10)16-4-7(12)13/h5,7,16H,4,15H2,1-2H3.
What are the key properties of 4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
4-amino-2-(2,2-difluoroethylamino)-5-(2-methylpropanoyl)thiophene-3-carbonitrile has a molecular weight of 273.31 g/mol, XLogP of 2.72, 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-(2-methylpropanoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 103505692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).