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

C9H13F3N4OS — CID 107305069

IUPACN-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-8(2,3)15-5(17)4-13-7-14-6(16-18-7)9(10,11)12/h4H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyLXHDLVDFBBDVAS-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.88
Rot. Bonds3

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

N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 107305069) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID107305069
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-8(2,3)15-5(17)4-13-7-14-6(16-18-7)9(10,11)12/h4H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyLXHDLVDFBBDVAS-UHFFFAOYSA-N
XLogP1.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
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
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
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
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
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 107305069) is N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is CC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is LXHDLVDFBBDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-8(2,3)15-5(17)4-13-7-14-6(16-18-7)9(10,11)12/h4H2,1-3H3,(H,15,17)(H,13,14,16).
What are the key properties of N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 107305069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).