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

C11H13N3O2S — CID 65274012

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
SMILESCCc1nsc(Oc2ccc(N)cc2OC)n1
InChIInChI=1S/C11H13N3O2S/c1-3-10-13-11(17-14-10)16-8-5-4-7(12)6-9(8)15-2/h4-6H,3,12H2,1-2H3
InChIKeyMMOOUFZQEQIXLX-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.48
Rot. Bonds4

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

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline (PubChem CID 65274012) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
PubChem CID65274012
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
SMILESCCc1nsc(Oc2ccc(N)cc2OC)n1
InChIInChI=1S/C11H13N3O2S/c1-3-10-13-11(17-14-10)16-8-5-4-7(12)6-9(8)15-2/h4-6H,3,12H2,1-2H3
InChIKeyMMOOUFZQEQIXLX-UHFFFAOYSA-N
XLogP2.48
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43173770
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-5-methylbenzoic acid
CID 65274789
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 114673390
2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65274967
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxy-N,N-dipropylbenzamide
CID 42776703
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,5-dimethoxyaniline
CID 83008111
2-(4-ethyl-2-methoxyphenoxy)-1,3-thiazol-5-amine
CID 107663780
3-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 81499302
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-4-chloroaniline
CID 65273738
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N,N-dipropylbenzamide
CID 3563139
4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
CID 55036542

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline (CID 65274012) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline is CCc1nsc(Oc2ccc(N)cc2OC)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline?
The InChIKey is MMOOUFZQEQIXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-10-13-11(17-14-10)16-8-5-4-7(12)6-9(8)15-2/h4-6H,3,12H2,1-2H3.
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline has a molecular weight of 251.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline is sourced from PubChem (CID 65274012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).