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

C10H10FN3OS — CID 65273790

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
SMILESCCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-6-3-4-8(12)7(11)5-6/h3-5H,2,12H2,1H3
InChIKeyLOPWBZQISXDWOI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds3

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

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline (PubChem CID 65273790) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
PubChem CID65273790
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
SMILESCCc1nsc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-6-3-4-8(12)7(11)5-6/h3-5H,2,12H2,1H3
InChIKeyLOPWBZQISXDWOI-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
1-[5-(4-Methoxyphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol
CID 145989894
(2R)-1-[5-(4-methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-ol
CID 139041196
4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
3-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273018
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273141
2-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273198
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
2,5-Difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273262
3-Fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273673
4-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273674
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273675

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline (CID 65273790) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline is CCc1nsc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The InChIKey is LOPWBZQISXDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-6-3-4-8(12)7(11)5-6/h3-5H,2,12H2,1H3.
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline has a molecular weight of 239.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline is sourced from PubChem (CID 65273790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).