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

C10H15F3N4S — CID 133431567

IUPAC2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CC(F)(F)F)C(C)C2)s1
InChIInChI=1S/C10H15F3N4S/c1-7-5-16(9-15-14-8(2)18-9)3-4-17(7)6-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyLVSQDUDLKWPUJZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.92
Rot. Bonds2

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

2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133431567) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133431567
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CC(F)(F)F)C(C)C2)s1
InChIInChI=1S/C10H15F3N4S/c1-7-5-16(9-15-14-8(2)18-9)3-4-17(7)6-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyLVSQDUDLKWPUJZ-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole (CID 133431567) is 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCN(CC(F)(F)F)C(C)C2)s1.
What is the InChIKey of 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is LVSQDUDLKWPUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-7-5-16(9-15-14-8(2)18-9)3-4-17(7)6-10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 280.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133431567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).