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

C6H7F3N4OS — CID 107304724

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4OS/c7-6(8,9)4-12-5(15-13-4)11-2-1-3(10)14/h1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyLRMDCWYBDFDNMF-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.84
Rot. Bonds4

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

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304724) has the molecular formula C6H7F3N4OS and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304724
Molecular FormulaC6H7F3N4OS
Molecular Weight240.21 g/mol
Exact Mass240.03
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4OS/c7-6(8,9)4-12-5(15-13-4)11-2-1-3(10)14/h1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyLRMDCWYBDFDNMF-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-Hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 106170493
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304259
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304577
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
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304721
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-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]propanamide?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304724) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is NC(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is LRMDCWYBDFDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS/c7-6(8,9)4-12-5(15-13-4)11-2-1-3(10)14/h1-2H2,(H2,10,14)(H,11,12,13).
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 240.21 g/mol, XLogP of 0.84, 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]propanamide is sourced from PubChem (CID 107304724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).