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

C10H13F3N4O2S — CID 103422819

IUPAC3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C10H13F3N4O2S/c1-17(3-2-10(11,12)13)9-4(7(15)18)5(14)6(20-9)8(16)19/h2-3,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyJETVBOSDYJBCOA-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.92
Rot. Bonds5

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

3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide (PubChem CID 103422819) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
PubChem CID103422819
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
SMILESCN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C(N)=O
InChIInChI=1S/C10H13F3N4O2S/c1-17(3-2-10(11,12)13)9-4(7(15)18)5(14)6(20-9)8(16)19/h2-3,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyJETVBOSDYJBCOA-UHFFFAOYSA-N
XLogP0.92
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide (CID 103422819) is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide is CN(CCC(F)(F)F)c1sc(C(N)=O)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The InChIKey is JETVBOSDYJBCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-17(3-2-10(11,12)13)9-4(7(15)18)5(14)6(20-9)8(16)19/h2-3,14H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide has a molecular weight of 310.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103422819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).