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

C10H10FN3O2S — CID 63598094

IUPAC5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCOc1cc(Sc2nnc(C)o2)c(N)cc1F
InChIInChI=1S/C10H10FN3O2S/c1-5-13-14-10(16-5)17-9-4-8(15-2)6(11)3-7(9)12/h3-4H,12H2,1-2H3
InChIKeyYFZPENDYYXCVEI-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.26
Rot. Bonds3

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

5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (PubChem CID 63598094) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
PubChem CID63598094
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCOc1cc(Sc2nnc(C)o2)c(N)cc1F
InChIInChI=1S/C10H10FN3O2S/c1-5-13-14-10(16-5)17-9-4-8(15-2)6(11)3-7(9)12/h3-4H,12H2,1-2H3
InChIKeyYFZPENDYYXCVEI-UHFFFAOYSA-N
XLogP2.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (CID 63598094) is 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is COc1cc(Sc2nnc(C)o2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The InChIKey is YFZPENDYYXCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-5-13-14-10(16-5)17-9-4-8(15-2)6(11)3-7(9)12/h3-4H,12H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline has a molecular weight of 255.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 63598094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).