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

C8H11F3N4OS — CID 107305112

IUPACN-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-2-12-5(16)3-4-13-7-14-6(15-17-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyVWMCJTUVMXKRRM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.50
Rot. Bonds5

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

N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107305112) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107305112
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC NameN-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCCNC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H11F3N4OS/c1-2-12-5(16)3-4-13-7-14-6(15-17-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyVWMCJTUVMXKRRM-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107305112) is N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CCNC(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is VWMCJTUVMXKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-2-12-5(16)3-4-13-7-14-6(15-17-7)8(9,10)11/h2-4H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 268.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107305112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).