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

C12H17F3N4OS — CID 103421861

IUPAC3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H17F3N4OS/c1-17-11(20)10-8(16)6-9(21-10)19-4-2-18(3-5-19)7-12(13,14)15/h6H,2-5,7,16H2,1H3,(H,17,20)
InChIKeyXUWPFDMAENMMRZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.37
Rot. Bonds3

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

3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide (PubChem CID 103421861) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
PubChem CID103421861
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H17F3N4OS/c1-17-11(20)10-8(16)6-9(21-10)19-4-2-18(3-5-19)7-12(13,14)15/h6H,2-5,7,16H2,1H3,(H,17,20)
InChIKeyXUWPFDMAENMMRZ-UHFFFAOYSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
5-(4-methylpiperazin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480860
3-(carbamoylamino)-5-fluoro-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 145723162
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 39162713
(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
3-amino-5-[(4-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103418159
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
1-[3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophen-2-yl]ethanone
CID 103421853

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide (CID 103421861) is 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide is CNC(=O)c1sc(N2CCN(CC(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
The InChIKey is XUWPFDMAENMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-17-11(20)10-8(16)6-9(21-10)19-4-2-18(3-5-19)7-12(13,14)15/h6H,2-5,7,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide?
3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103421861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).