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

C8H11F3N4OS — CID 106097298

IUPAC3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(C)(CC(N)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-7(2,3-4(12)16)14-6-13-5(15-17-6)8(9,10)11/h3H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyOJZJAHFWIFAFON-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.62
Rot. Bonds4

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

3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (PubChem CID 106097298) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
PubChem CID106097298
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(C)(CC(N)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-7(2,3-4(12)16)14-6-13-5(15-17-6)8(9,10)11/h3H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyOJZJAHFWIFAFON-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
2-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304805
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
N-tert-butyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305113
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107305174
3-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107385527
2,2-Dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 113952886
N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 114167514
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 116388881
3,3,3-trifluoro-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 132322154
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
N-[3-(2-amino-2-methylpropyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 169591979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (CID 106097298) is 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is CC(C)(CC(N)=O)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The InChIKey is OJZJAHFWIFAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-7(2,3-4(12)16)14-6-13-5(15-17-6)8(9,10)11/h3H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide has a molecular weight of 268.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is sourced from PubChem (CID 106097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).