4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one

C10H11F3N2OS — CID 115101439

IUPAC4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESCc1ccc(N2CC(=O)NCC2C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2OS/c1-6-2-3-9(17-6)15-5-8(16)14-4-7(15)10(11,12)13/h2-3,7H,4-5H2,1H3,(H,14,16)
InChIKeyFCQYSVPQQPRMNE-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.92
Rot. Bonds1

About 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one

4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101439) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101439
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESCc1ccc(N2CC(=O)NCC2C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2OS/c1-6-2-3-9(17-6)15-5-8(16)14-4-7(15)10(11,12)13/h2-3,7H,4-5H2,1H3,(H,14,16)
InChIKeyFCQYSVPQQPRMNE-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 16189251
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 24685979
N'-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 1962851
N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 2203485
N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide
CID 2824814
N'-(2,4-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 2990866
N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 4882176
N1-(2,5-difluorophenyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 7585098
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17431288
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(1-thiophen-2-ylethylamino)acetamide
CID 17544957
2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666377

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one (CID 115101439) is 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one is Cc1ccc(N2CC(=O)NCC2C(F)(F)F)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is FCQYSVPQQPRMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-2-3-9(17-6)15-5-8(16)14-4-7(15)10(11,12)13/h2-3,7H,4-5H2,1H3,(H,14,16).
What are the key properties of 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 264.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).