5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine

C8H12F3N5S — CID 66280998

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C8H12F3N5S/c9-8(10,11)5-15-1-3-16(4-2-15)7-13-6(12)14-17-7/h1-5H2,(H2,12,14)
InChIKeyKRPWFUVTPUWROQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.80
Rot. Bonds2

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 66280998) has the molecular formula C8H12F3N5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID66280998
Molecular FormulaC8H12F3N5S
Molecular Weight267.28 g/mol
Exact Mass267.08
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C8H12F3N5S/c9-8(10,11)5-15-1-3-16(4-2-15)7-13-6(12)14-17-7/h1-5H2,(H2,12,14)
InChIKeyKRPWFUVTPUWROQ-UHFFFAOYSA-N
XLogP0.80
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66277938
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279237
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279240
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetonitrile
CID 107304513
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanethioamide
CID 107304534
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305294
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanamine
CID 113943891
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 116319207
5-(4-Ethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 174715120
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 28908344

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine (CID 66280998) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is KRPWFUVTPUWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5S/c9-8(10,11)5-15-1-3-16(4-2-15)7-13-6(12)14-17-7/h1-5H2,(H2,12,14).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 267.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66280998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).