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

C10H11F3N4OS — CID 103422825

IUPAC3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-5(4-14)6(15)7(19-9)8(16)18/h2-3,15H2,1H3,(H2,16,18)
InChIKeyRJTUHRRCPKGFNO-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.69
Rot. Bonds4

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

3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422825) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422825
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC Name3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-5(4-14)6(15)7(19-9)8(16)18/h2-3,15H2,1H3,(H2,16,18)
InChIKeyRJTUHRRCPKGFNO-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422825) is 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is RJTUHRRCPKGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-17(3-2-10(11,12)13)9-5(4-14)6(15)7(19-9)8(16)18/h2-3,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-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 3-amino-4-cyano-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).