5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

C9H13F3N4S — CID 107304583

IUPAC5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1(C)CN(c2nc(C(F)(F)F)ns2)CCN1
InChIInChI=1S/C9H13F3N4S/c1-8(2)5-16(4-3-13-8)7-14-6(15-17-7)9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyUIBNFVLIGFRRKZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.75
Rot. Bonds1

About 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107304583) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107304583
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCC1(C)CN(c2nc(C(F)(F)F)ns2)CCN1
InChIInChI=1S/C9H13F3N4S/c1-8(2)5-16(4-3-13-8)7-14-6(15-17-7)9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyUIBNFVLIGFRRKZ-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107304583) is 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CC1(C)CN(c2nc(C(F)(F)F)ns2)CCN1.
What is the InChIKey of 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is UIBNFVLIGFRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-8(2)5-16(4-3-13-8)7-14-6(15-17-7)9(10,11)12/h13H,3-5H2,1-2H3.
What are the key properties of 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 266.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107304583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).