4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide

C10H11F3N4OS — CID 103422798

IUPAC4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-6(8(16)18)7(15)5(4-14)19-9/h2-3,15H2,1H3,(H2,16,18)
InChIKeyHQXNVKXANOFGLR-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide

4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (PubChem CID 103422798) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
PubChem CID103422798
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC Name4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-6(8(16)18)7(15)5(4-14)19-9/h2-3,15H2,1H3,(H2,16,18)
InChIKeyHQXNVKXANOFGLR-UHFFFAOYSA-N
XLogP1.69
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide 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

5-Acetyl-4-amino-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647778
5-Acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
CID 911669
4-cyano-N,N-diethyl-3-methyl-5-[(trifluoroacetyl)amino]thiophene-2-carboxamide
CID 3294410
4-Amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide
CID 103417610
3-Amino-4-cyano-5-[(2,5-difluorophenyl)methylamino]thiophene-2-carboxamide
CID 103417619
4-Amino-5-cyano-2-[(4-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
CID 103418138
3-Amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
4-Amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
CID 103420721
3-Amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
4-Amino-5-(cyclopropanecarbonyl)-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carbonitrile
CID 103422796
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103422797
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422803

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (CID 103422798) is 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is CN(CCC(F)(F)F)c1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The InChIKey is HQXNVKXANOFGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-6(8(16)18)7(15)5(4-14)19-9/h2-3,15H2,1H3,(H2,16,18).
What are the key properties of 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 103422798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).