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

C5H5F3N4OS — CID 107304650

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N4OS/c6-5(7,8)3-11-4(14-12-3)10-1-2(9)13/h1H2,(H2,9,13)(H,10,11,12)
InChIKeyGVFXJBWVQGFEHI-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.45
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107304650) has the molecular formula C5H5F3N4OS and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107304650
Molecular FormulaC5H5F3N4OS
Molecular Weight226.18 g/mol
Exact Mass226.01
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N4OS/c6-5(7,8)3-11-4(14-12-3)10-1-2(9)13/h1H2,(H2,9,13)(H,10,11,12)
InChIKeyGVFXJBWVQGFEHI-UHFFFAOYSA-N
XLogP0.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126814436
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-5-carboxamide
CID 92070660
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304576
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
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
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107304650) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is NC(=O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is GVFXJBWVQGFEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4OS/c6-5(7,8)3-11-4(14-12-3)10-1-2(9)13/h1H2,(H2,9,13)(H,10,11,12).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 226.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107304650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).