2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C10H9FN2OS — CID 106921600

IUPAC2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cccc(F)c2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-8-4-2-3-7(11)9(8)12/h2-5H,12H2,1H3
InChIKeyNXLMTQJRFVRPSU-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921600) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921600
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cccc(F)c2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-8-4-2-3-7(11)9(8)12/h2-5H,12H2,1H3
InChIKeyNXLMTQJRFVRPSU-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921600) is 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cccc(F)c2N)n1.
What is the InChIKey of 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is NXLMTQJRFVRPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-8-4-2-3-7(11)9(8)12/h2-5H,12H2,1H3.
What are the key properties of 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 224.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).