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

C11H12FN3OS — CID 62582083

IUPAC3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
SMILESCc1nnc(SCCNc2cccc(F)c2)o1
InChIInChI=1S/C11H12FN3OS/c1-8-14-15-11(16-8)17-6-5-13-10-4-2-3-9(12)7-10/h2-4,7,13H,5-6H2,1H3
InChIKeyFUAWJSXBQLPZRI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.72
Rot. Bonds5

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

3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline (PubChem CID 62582083) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
PubChem CID62582083
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
SMILESCc1nnc(SCCNc2cccc(F)c2)o1
InChIInChI=1S/C11H12FN3OS/c1-8-14-15-11(16-8)17-6-5-13-10-4-2-3-9(12)7-10/h2-4,7,13H,5-6H2,1H3
InChIKeyFUAWJSXBQLPZRI-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
CID 62582268
3-fluoro-N-[2-(1-methylpyrazol-4-yl)sulfanylethyl]aniline
CID 62580140
3,3-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 62580275
3-fluoro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63517278
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
CID 62254011
[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62255617
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 62255609
2-methoxy-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 62582269
N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
CID 62581903
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
3-bromo-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62580146

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline (CID 62582083) is 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline is Cc1nnc(SCCNc2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline?
The InChIKey is FUAWJSXBQLPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-8-14-15-11(16-8)17-6-5-13-10-4-2-3-9(12)7-10/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline?
3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline has a molecular weight of 253.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline is sourced from PubChem (CID 62582083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).