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

C12H20F3N5S — CID 107304476

IUPAC3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-9(3-4-16)19-5-7-20(8-6-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyCQASWBCGHIFERA-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.81
Rot. Bonds5

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

3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine (PubChem CID 107304476) has the molecular formula C12H20F3N5S and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
PubChem CID107304476
Molecular FormulaC12H20F3N5S
Molecular Weight323.39 g/mol
Exact Mass323.14
IUPAC Name3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-9(3-4-16)19-5-7-20(8-6-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyCQASWBCGHIFERA-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.81
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-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495132
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
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine (CID 107304476) is 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The InChIKey is CQASWBCGHIFERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5S/c1-2-9(3-4-16)19-5-7-20(8-6-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine has a molecular weight of 323.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 107304476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).