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

C9H11F3N4OS — CID 107305104

IUPACN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(=O)NC1CC1
InChIInChI=1S/C9H11F3N4OS/c1-4(6(17)14-5-2-3-5)13-8-15-7(16-18-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyMWKYMORQBBJMRY-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.64
Rot. Bonds4

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

N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107305104) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107305104
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC NameN-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(Nc1nc(C(F)(F)F)ns1)C(=O)NC1CC1
InChIInChI=1S/C9H11F3N4OS/c1-4(6(17)14-5-2-3-5)13-8-15-7(16-18-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyMWKYMORQBBJMRY-UHFFFAOYSA-N
XLogP1.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107305104) is N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CC(Nc1nc(C(F)(F)F)ns1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is MWKYMORQBBJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-4(6(17)14-5-2-3-5)13-8-15-7(16-18-8)9(10,11)12/h4-5H,2-3H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 280.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107305104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).