1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one

C9H11F3N4OS — CID 166199475

IUPAC1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H11F3N4OS/c1-5-6(17)15(2)3-4-16(5)8-13-7(14-18-8)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyGNVBMHVXLUWJAL-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.22
Rot. Bonds1

About 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one

1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (PubChem CID 166199475) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
PubChem CID166199475
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCC1C(=O)N(C)CCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H11F3N4OS/c1-5-6(17)15(2)3-4-16(5)8-13-7(14-18-8)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyGNVBMHVXLUWJAL-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (CID 166199475) is 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is CC1C(=O)N(C)CCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The InChIKey is GNVBMHVXLUWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-5-6(17)15(2)3-4-16(5)8-13-7(14-18-8)9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 166199475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).