2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline

C11H10FN3OS — CID 65274190

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
SMILESNc1cc(F)ccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H10FN3OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXHDJCNDHZMTQFG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.93
Rot. Bonds3

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline (PubChem CID 65274190) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
PubChem CID65274190
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline
SMILESNc1cc(F)ccc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H10FN3OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXHDJCNDHZMTQFG-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline (CID 65274190) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline is Nc1cc(F)ccc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline?
The InChIKey is XHDJCNDHZMTQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-7-3-4-9(8(13)5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline has a molecular weight of 251.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-5-fluoroaniline is sourced from PubChem (CID 65274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).