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

C11H15F3N4O2S — CID 103422859

IUPAC3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-17-9(20)7-6(15)5(8(16)19)10(21-7)18(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKTTQOZLVFIVWAV-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.18
Rot. Bonds5

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

3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide (PubChem CID 103422859) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
PubChem CID103422859
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-17-9(20)7-6(15)5(8(16)19)10(21-7)18(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKTTQOZLVFIVWAV-UHFFFAOYSA-N
XLogP1.18
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide (CID 103422859) is 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide is CNC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
The InChIKey is KTTQOZLVFIVWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-17-9(20)7-6(15)5(8(16)19)10(21-7)18(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide?
3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103422859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).