2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide

C10H14F3N5OS — CID 107304765

IUPAC2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8-16-9(20-17-8)15-6-1-3-18(4-2-6)5-7(14)19/h6H,1-5H2,(H2,14,19)(H,15,16,17)
InChIKeyWXEVRFWOWVMEJZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide

2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide (PubChem CID 107304765) has the molecular formula C10H14F3N5OS and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
PubChem CID107304765
Molecular FormulaC10H14F3N5OS
Molecular Weight309.32 g/mol
Exact Mass309.09
IUPAC Name2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N5OS/c11-10(12,13)8-16-9(20-17-8)15-6-1-3-18(4-2-6)5-7(14)19/h6H,1-5H2,(H2,14,19)(H,15,16,17)
InChIKeyWXEVRFWOWVMEJZ-UHFFFAOYSA-N
XLogP0.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304476
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetonitrile
CID 107304519
N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304708
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304779
N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304804
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304825
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
N-(1-piperidin-1-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304839
N-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304853
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304861

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide (CID 107304765) is 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide?
The InChIKey is WXEVRFWOWVMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5OS/c11-10(12,13)8-16-9(20-17-8)15-6-1-3-18(4-2-6)5-7(14)19/h6H,1-5H2,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide?
2-[4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 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]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 107304765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).