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

C10H13F3N4O2S — CID 103509461

IUPAC3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N(C)CC(F)(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C10H13F3N4O2S/c1-16-8(19)4-5(14)6(7(15)18)20-9(4)17(2)3-10(11,12)13/h3,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQYISLNFEQBKMOI-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.79
Rot. Bonds4

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

3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide (PubChem CID 103509461) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
PubChem CID103509461
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(N(C)CC(F)(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C10H13F3N4O2S/c1-16-8(19)4-5(14)6(7(15)18)20-9(4)17(2)3-10(11,12)13/h3,14H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyQYISLNFEQBKMOI-UHFFFAOYSA-N
XLogP0.79
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422845
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
methyl 4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carboxylate
CID 103509440
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103420269
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
CID 106219004
3-amino-4-methylsulfonyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422827
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240
methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103420209

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide (CID 103509461) is 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide is CNC(=O)c1c(N(C)CC(F)(F)F)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide?
The InChIKey is QYISLNFEQBKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-16-8(19)4-5(14)6(7(15)18)20-9(4)17(2)3-10(11,12)13/h3,14H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide?
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide has a molecular weight of 310.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103509461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).