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

C9H11F3N4OS — CID 107305152

IUPACN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)14-4-3-13-6(17)5-1-2-5/h5H,1-4H2,(H,13,17)(H,14,15,16)
InChIKeyYHYHBITWWUBNIW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.50
Rot. Bonds5

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

N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 107305152) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID107305152
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC NameN-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)14-4-3-13-6(17)5-1-2-5/h5H,1-4H2,(H,13,17)(H,14,15,16)
InChIKeyYHYHBITWWUBNIW-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide (CID 107305152) is N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1nc(C(F)(F)F)ns1)C1CC1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is YHYHBITWWUBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c10-9(11,12)7-15-8(18-16-7)14-4-3-13-6(17)5-1-2-5/h5H,1-4H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 280.28 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-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 107305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).