3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide

C11H15F3N4O2S — CID 103425822

IUPAC3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-2-3-17-9(20)7-6(15)5(8(16)19)10(21-7)18-4-11(12,13)14/h18H,2-4,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyXIBQLOYTQQRRJX-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide

3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103425822) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
PubChem CID103425822
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H15F3N4O2S/c1-2-3-17-9(20)7-6(15)5(8(16)19)10(21-7)18-4-11(12,13)14/h18H,2-4,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyXIBQLOYTQQRRJX-UHFFFAOYSA-N
XLogP1.54
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103417444
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103505674
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
CID 106296533
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide (CID 103425822) is 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide is CCCNC(=O)c1sc(NCC(F)(F)F)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is XIBQLOYTQQRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-2-3-17-9(20)7-6(15)5(8(16)19)10(21-7)18-4-11(12,13)14/h18H,2-4,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103425822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).