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

C10H15F3N4OS — CID 107304776

IUPACN-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-3-6(2)15-7(18)4-5-14-9-16-8(17-19-9)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyFLDFWNFVHVHSEY-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.27
Rot. Bonds6

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

N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107304776) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107304776
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-3-6(2)15-7(18)4-5-14-9-16-8(17-19-9)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyFLDFWNFVHVHSEY-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107304776) is N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CCC(C)NC(=O)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is FLDFWNFVHVHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-3-6(2)15-7(18)4-5-14-9-16-8(17-19-9)10(11,12)13/h6H,3-5H2,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 296.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107304776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).