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

C10H13F3N4OS — CID 107305102

IUPAC1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
SMILESO=C(CNc1nc(C(F)(F)F)ns1)N1CCCCC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-6-7(18)17-4-2-1-3-5-17/h1-6H2,(H,14,15,16)
InChIKeySHEBQLLQTIGMPM-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds3

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

1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone (PubChem CID 107305102) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
PubChem CID107305102
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
SMILESO=C(CNc1nc(C(F)(F)F)ns1)N1CCCCC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-6-7(18)17-4-2-1-3-5-17/h1-6H2,(H,14,15,16)
InChIKeySHEBQLLQTIGMPM-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71866687
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983388
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304727
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
CID 107304765
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304861

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone (CID 107305102) is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone is O=C(CNc1nc(C(F)(F)F)ns1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The InChIKey is SHEBQLLQTIGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)8-15-9(19-16-8)14-6-7(18)17-4-2-1-3-5-17/h1-6H2,(H,14,15,16).
What are the key properties of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone has a molecular weight of 294.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone is sourced from PubChem (CID 107305102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).