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

C7H9F3N4OS — CID 107305174

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(CC(N)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-3(2-4(11)15)12-6-13-5(14-16-6)7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyZHCDXZIKXNPAPK-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.23
Rot. Bonds4

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

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (PubChem CID 107305174) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
PubChem CID107305174
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
SMILESCC(CC(N)=O)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H9F3N4OS/c1-3(2-4(11)15)12-6-13-5(14-16-6)7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyZHCDXZIKXNPAPK-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 106097298
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
CID 106191970
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107304739
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
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
1-N,1-N-dimethyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304857
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide (CID 107305174) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is CC(CC(N)=O)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
The InChIKey is ZHCDXZIKXNPAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-3(2-4(11)15)12-6-13-5(14-16-6)7(8,9)10/h3H,2H2,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide has a molecular weight of 254.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide is sourced from PubChem (CID 107305174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).