3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole

C11H17F3N4S — CID 133431588

IUPAC3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC(F)(F)F)C(C)C2)n1
InChIInChI=1S/C11H17F3N4S/c1-3-9-15-10(19-16-9)17-4-5-18(8(2)6-17)7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyPOIPNOGPUFQSPT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.17
Rot. Bonds3

About 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133431588) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133431588
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC(F)(F)F)C(C)C2)n1
InChIInChI=1S/C11H17F3N4S/c1-3-9-15-10(19-16-9)17-4-5-18(8(2)6-17)7-11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyPOIPNOGPUFQSPT-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133431588) is 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN(CC(F)(F)F)C(C)C2)n1.
What is the InChIKey of 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is POIPNOGPUFQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-3-9-15-10(19-16-9)17-4-5-18(8(2)6-17)7-11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 294.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133431588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).