4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

C11H12FN3O2S — CID 63594501

IUPAC4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCCOc1cc(Sc2nnc(C)o2)c(N)cc1F
InChIInChI=1S/C11H12FN3O2S/c1-3-16-9-5-10(8(13)4-7(9)12)18-11-15-14-6(2)17-11/h4-5H,3,13H2,1-2H3
InChIKeyFIZLKIVTPYGFRC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds4

About 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (PubChem CID 63594501) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
PubChem CID63594501
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCCOc1cc(Sc2nnc(C)o2)c(N)cc1F
InChIInChI=1S/C11H12FN3O2S/c1-3-16-9-5-10(8(13)4-7(9)12)18-11-15-14-6(2)17-11/h4-5H,3,13H2,1-2H3
InChIKeyFIZLKIVTPYGFRC-UHFFFAOYSA-N
XLogP2.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
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

2-(2-amino-5-ethoxy-4-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 63594148
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737456
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
CID 63593075
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
5-fluoro-2-(1-methylimidazol-2-yl)sulfanyl-4-propoxyaniline
CID 63594235
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
CID 63591823

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (CID 63594501) is 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is CCOc1cc(Sc2nnc(C)o2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The InChIKey is FIZLKIVTPYGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-3-16-9-5-10(8(13)4-7(9)12)18-11-15-14-6(2)17-11/h4-5H,3,13H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline has a molecular weight of 269.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 63594501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).