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

C9H13F3N4OS — CID 107305099

IUPACN-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCC(C)CNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-5(2)3-13-6(17)4-14-8-15-7(16-18-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFJCFVHNWTDDRFM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.74
Rot. Bonds5

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

N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107305099) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107305099
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCC(C)CNC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-5(2)3-13-6(17)4-14-8-15-7(16-18-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFJCFVHNWTDDRFM-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
CID 174154467
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107305099) is N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is CC(C)CNC(=O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is FJCFVHNWTDDRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-5(2)3-13-6(17)4-14-8-15-7(16-18-8)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107305099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).