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

C10H8F2N2OS — CID 106921609

IUPAC2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)cc(F)c2N)n1
InChIInChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-8-3-6(11)2-7(12)9(8)13/h2-4H,13H2,1H3
InChIKeyPYTJRNDNQLRWFT-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.99
Rot. Bonds2

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

2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921609) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921609
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)cc(F)c2N)n1
InChIInChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-8-3-6(11)2-7(12)9(8)13/h2-4H,13H2,1H3
InChIKeyPYTJRNDNQLRWFT-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.99
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 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921609) is 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(F)cc(F)c2N)n1.
What is the InChIKey of 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is PYTJRNDNQLRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-8-3-6(11)2-7(12)9(8)13/h2-4H,13H2,1H3.
What are the key properties of 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 242.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).