3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide

C11H15F3N4OS — CID 103421857

IUPAC3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)6-17-1-3-18(4-2-17)8-5-7(15)9(20-8)10(16)19/h5H,1-4,6,15H2,(H2,16,19)
InChIKeySOQMDZVHTUXGQV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.11
Rot. Bonds3

About 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide

3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide (PubChem CID 103421857) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
PubChem CID103421857
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
SMILESNC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)6-17-1-3-18(4-2-17)8-5-7(15)9(20-8)10(16)19/h5H,1-4,6,15H2,(H2,16,19)
InChIKeySOQMDZVHTUXGQV-UHFFFAOYSA-N
XLogP1.11
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-Phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxamide
CID 155567938
3-(carbamoylamino)-5-fluoro-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 145723162
5-(Difluoromethyl)-3-morpholin-4-ylthiophene-2-carboxamide
CID 176084455
(3-Aminothiophen-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 61091557
(3-Aminothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 61104456
(4-Amino-5-methylthiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61111108
(3-Aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61111291
1-[3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophen-2-yl]ethanone
CID 103421853
1-[3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophen-2-yl]propan-1-one
CID 103421859
3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
CID 103421861
1-[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422799
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422800

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide (CID 103421857) is 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide is NC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The InChIKey is SOQMDZVHTUXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)6-17-1-3-18(4-2-17)8-5-7(15)9(20-8)10(16)19/h5H,1-4,6,15H2,(H2,16,19).
What are the key properties of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103421857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).