4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole

C11H17F3N4S — CID 75506972

IUPAC4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1csnn1
InChIInChI=1S/C11H17F3N4S/c1-10(2)7-17(8-11(12,13)14)3-4-18(10)5-9-6-19-16-15-9/h6H,3-5,7-8H2,1-2H3
InChIKeyUUEWESZVXXIACM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.00
Rot. Bonds3

About 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole

4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 75506972) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID75506972
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
SMILESCC1(C)CN(CC(F)(F)F)CCN1Cc1csnn1
InChIInChI=1S/C11H17F3N4S/c1-10(2)7-17(8-11(12,13)14)3-4-18(10)5-9-6-19-16-15-9/h6H,3-5,7-8H2,1-2H3
InChIKeyUUEWESZVXXIACM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole (CID 75506972) is 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole is CC1(C)CN(CC(F)(F)F)CCN1Cc1csnn1.
What is the InChIKey of 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is UUEWESZVXXIACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-10(2)7-17(8-11(12,13)14)3-4-18(10)5-9-6-19-16-15-9/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole?
4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 294.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 75506972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).