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

C9H13F3N4S — CID 174715120

IUPAC5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H13F3N4S/c1-2-15-3-5-16(6-4-15)8-13-7(14-17-8)9(10,11)12/h2-6H2,1H3
InChIKeySEYVOGBMJVDQKG-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.70
Rot. Bonds2

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

5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 174715120) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID174715120
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCN1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H13F3N4S/c1-2-15-3-5-16(6-4-15)8-13-7(14-17-8)9(10,11)12/h2-6H2,1H3
InChIKeySEYVOGBMJVDQKG-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
Sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioate
CID 23690464
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66280998
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
3-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959825
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304468
4-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
CID 107304471
2-Methyl-3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304473
5-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304475
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304490

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 174715120) is 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is CCN1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is SEYVOGBMJVDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-2-15-3-5-16(6-4-15)8-13-7(14-17-8)9(10,11)12/h2-6H2,1H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 266.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 174715120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).