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

C7H9F3N4OS — CID 107304727

IUPACN-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-2-11-4(15)3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyIFCPCGVIPNCODW-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.10
Rot. Bonds4

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

N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107304727) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107304727
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC NameN-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-2-11-4(15)3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyIFCPCGVIPNCODW-UHFFFAOYSA-N
XLogP1.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126814436
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 131185475
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71866687
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71926255
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983388
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
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304650
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107304727) is N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is CCNC(=O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is IFCPCGVIPNCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-2-11-4(15)3-12-6-13-5(14-16-6)7(8,9)10/h2-3H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 254.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107304727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).