3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide

C11H14F3N3OS — CID 106219029

IUPAC3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H14F3N3OS/c1-2-16-9(18)8-6(15)5-7(19-8)17-10(3-4-10)11(12,13)14/h5,17H,2-4,15H2,1H3,(H,16,18)
InChIKeyMOMXZPBVXNEHRK-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.59
Rot. Bonds4

About 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide

3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide (PubChem CID 106219029) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
PubChem CID106219029
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H14F3N3OS/c1-2-16-9(18)8-6(15)5-7(19-8)17-10(3-4-10)11(12,13)14/h5,17H,2-4,15H2,1H3,(H,16,18)
InChIKeyMOMXZPBVXNEHRK-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426292
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421831

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide (CID 106219029) is 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide is CCNC(=O)c1sc(NC2(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The InChIKey is MOMXZPBVXNEHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-2-16-9(18)8-6(15)5-7(19-8)17-10(3-4-10)11(12,13)14/h5,17H,2-4,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 106219029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).