N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H16F3N5S — CID 107304963

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(C)C(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H16F3N5S/c1-17-3-4-18(2)7(6-17)5-14-9-15-8(16-19-9)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyGORZBFHMTOULCG-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.21
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304963) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304963
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCN(C)C(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H16F3N5S/c1-17-3-4-18(2)7(6-17)5-14-9-15-8(16-19-9)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyGORZBFHMTOULCG-UHFFFAOYSA-N
XLogP1.21
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
5-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304250

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304963) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN1CCN(C)C(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GORZBFHMTOULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-17-3-4-18(2)7(6-17)5-14-9-15-8(16-19-9)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 295.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).