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

C9H11F3N4OS — CID 107305039

IUPACN-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)13-4-3-6(17)14-5-1-2-5/h5H,1-4H2,(H,14,17)(H,13,15,16)
InChIKeySWNPJGSCFMFBBC-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.64
Rot. Bonds5

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

N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107305039) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107305039
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC NameN-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)NC1CC1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)13-4-3-6(17)14-5-1-2-5/h5H,1-4H2,(H,14,17)(H,13,15,16)
InChIKeySWNPJGSCFMFBBC-UHFFFAOYSA-N
XLogP1.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107305039) is N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is O=C(CCNc1nc(C(F)(F)F)ns1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is SWNPJGSCFMFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)13-4-3-6(17)14-5-1-2-5/h5H,1-4H2,(H,14,17)(H,13,15,16).
What are the key properties of N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 280.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107305039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).