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

C5H4F3N3OS — CID 12851604

IUPACN-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3N3OS/c1-2(12)9-4-10-3(11-13-4)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyXRVYHFTXXOTOJP-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.52
Rot. Bonds1

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

N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 12851604) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID12851604
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC NameN-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3N3OS/c1-2(12)9-4-10-3(11-13-4)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyXRVYHFTXXOTOJP-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Acetamido-3-Trichloromethyl-1,2,4-Thiadiazole
CID 12851600
2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 20719774
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103516086
2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 103734054
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
2,2,3,3,3-pentafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 108095561
2-chloro-2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130710359
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 12851604) is N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is XRVYHFTXXOTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c1-2(12)9-4-10-3(11-13-4)5(6,7)8/h1H3,(H,9,10,11,12).
What are the key properties of N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 211.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 12851604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).