2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide

C12H14F3N3O2S — CID 39162713

IUPAC2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCNCC2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C12H14F3N3O2S/c1-7-6-8(10(19)18-4-2-16-3-5-18)9(21-7)17-11(20)12(13,14)15/h6,16H,2-5H2,1H3,(H,17,20)
InChIKeyVURMUJKRMKMLDT-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.60
Rot. Bonds2

About 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide

2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide (PubChem CID 39162713) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
PubChem CID39162713
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC Name2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCNCC2)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C12H14F3N3O2S/c1-7-6-8(10(19)18-4-2-16-3-5-18)9(21-7)17-11(20)12(13,14)15/h6,16H,2-5H2,1H3,(H,17,20)
InChIKeyVURMUJKRMKMLDT-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide (CID 39162713) is 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide is Cc1cc(C(=O)N2CCNCC2)c(NC(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide?
The InChIKey is VURMUJKRMKMLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-7-6-8(10(19)18-4-2-16-3-5-18)9(21-7)17-11(20)12(13,14)15/h6,16H,2-5H2,1H3,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide?
2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide has a molecular weight of 321.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 39162713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).