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

C7H9F3N4OS — CID 107304805

IUPAC2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(C)(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C7H9F3N4OS/c1-6(2,3(11)15)13-5-12-4(14-16-5)7(8,9)10/h1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyPWHJAHHUIGJTJQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.23
Rot. Bonds3

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

2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304805) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304805
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(C)(Nc1nc(C(F)(F)F)ns1)C(N)=O
InChIInChI=1S/C7H9F3N4OS/c1-6(2,3(11)15)13-5-12-4(14-16-5)7(8,9)10/h1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyPWHJAHHUIGJTJQ-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304805) is 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CC(C)(Nc1nc(C(F)(F)F)ns1)C(N)=O.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is PWHJAHHUIGJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-6(2,3(11)15)13-5-12-4(14-16-5)7(8,9)10/h1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 254.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107304805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).