3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide

C11H13F3N4O2S — CID 106219004

IUPAC3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H13F3N4O2S/c1-17-8(20)4-5(15)6(7(16)19)21-9(4)18-10(2-3-10)11(12,13)14/h18H,2-3,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyCTWSUYZNYWDCSY-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.30
Rot. Bonds4

About 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide

3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide (PubChem CID 106219004) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
PubChem CID106219004
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H13F3N4O2S/c1-17-8(20)4-5(15)6(7(16)19)21-9(4)18-10(2-3-10)11(12,13)14/h18H,2-3,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyCTWSUYZNYWDCSY-UHFFFAOYSA-N
XLogP1.30
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106219030
4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106218979
3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219038
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
CID 103509461
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
CID 103426938
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
CID 106214902
3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219029
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide (CID 106219004) is 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide is CNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide?
The InChIKey is CTWSUYZNYWDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-17-8(20)4-5(15)6(7(16)19)21-9(4)18-10(2-3-10)11(12,13)14/h18H,2-3,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide?
3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 106219004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).