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

C8H11F3N4OS — CID 107385527

IUPAC3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(C)C(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C8H11F3N4OS/c1-3(2)4(5(12)16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyHZVIBMDALZYLGC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.48
Rot. Bonds4

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

3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (PubChem CID 107385527) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
PubChem CID107385527
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(C)C(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C8H11F3N4OS/c1-3(2)4(5(12)16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyHZVIBMDALZYLGC-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 106097298
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739
2-Methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304805
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304825
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304893
N-tert-butyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107305069
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107305099
N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305103
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (CID 107385527) is 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is CC(C)C(Nc1nc(C(F)(F)F)ns1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The InChIKey is HZVIBMDALZYLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-3(2)4(5(12)16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide has a molecular weight of 268.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is sourced from PubChem (CID 107385527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).