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

C11H18F3N5S — CID 107304491

IUPAC2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H18F3N5S/c1-2-8(7-15)18-3-5-19(6-4-18)10-16-9(17-20-10)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyLEDPOXMBZDQKBV-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.42
Rot. Bonds4

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

2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine (PubChem CID 107304491) has the molecular formula C11H18F3N5S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
PubChem CID107304491
Molecular FormulaC11H18F3N5S
Molecular Weight309.36 g/mol
Exact Mass309.12
IUPAC Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H18F3N5S/c1-2-8(7-15)18-3-5-19(6-4-18)10-16-9(17-20-10)11(12,13)14/h8H,2-7,15H2,1H3
InChIKeyLEDPOXMBZDQKBV-UHFFFAOYSA-N
XLogP1.42
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.42
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
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
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
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495132
3-Cyclopropyl-5-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 75437319
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
3-cyclopropyl-5-[(3R)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 97330538
3-cyclopropyl-5-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 97330539
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine (CID 107304491) is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine?
The InChIKey is LEDPOXMBZDQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5S/c1-2-8(7-15)18-3-5-19(6-4-18)10-16-9(17-20-10)11(12,13)14/h8H,2-7,15H2,1H3.
What are the key properties of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine?
2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine has a molecular weight of 309.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 107304491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).