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

C12H15F3N4OS — CID 103422810

IUPAC3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C12H15F3N4OS/c1-3-18-10(20)9-8(17)7(6-16)11(21-9)19(2)5-4-12(13,14)15/h3-5,17H2,1-2H3,(H,18,20)
InChIKeyNXZJPGRHJCAODW-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.34
Rot. Bonds5

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

3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422810) has the molecular formula C12H15F3N4OS and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422810
Molecular FormulaC12H15F3N4OS
Molecular Weight320.34 g/mol
Exact Mass320.09
IUPAC Name3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C12H15F3N4OS/c1-3-18-10(20)9-8(17)7(6-16)11(21-9)19(2)5-4-12(13,14)15/h3-5,17H2,1-2H3,(H,18,20)
InChIKeyNXZJPGRHJCAODW-UHFFFAOYSA-N
XLogP2.34
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-4-amino-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647778
5-Acetyl-4-amino-2-(ethylamino)thiophene-3-carbonitrile
CID 911669
3-amino-2-N-(2,3,4,5,6-pentafluorophenyl)-5-(propan-2-ylamino)thiophene-2,4-dicarboxamide
CID 2491126
5-(allylamino)-3-amino-4-cyano-N-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxamide
CID 3154868
4-cyano-N,N-diethyl-3-methyl-5-[(trifluoroacetyl)amino]thiophene-2-carboxamide
CID 3294410
4-cyano-N,N-diethyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)thiophene-2-carboxamide
CID 3478242
4-cyano-N,N-diethyl-5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-methylthiophene-2-carboxamide
CID 4099059
N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
CID 39162627
3-Amino-4-cyano-5-[(2,5-difluorophenyl)methylamino]thiophene-2-carboxamide
CID 103417619
3-Amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422810) is 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CCNC(=O)c1sc(N(C)CCC(F)(F)F)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is NXZJPGRHJCAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4OS/c1-3-18-10(20)9-8(17)7(6-16)11(21-9)19(2)5-4-12(13,14)15/h3-5,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).