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

C10H8FIN2OS — CID 106921605

IUPAC4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(I)cc2N)n1
InChIInChI=1S/C10H8FIN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3
InChIKeyKUVALIXEKXWLIC-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.46
Rot. Bonds2

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

4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921605) has the molecular formula C10H8FIN2OS and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921605
Molecular FormulaC10H8FIN2OS
Molecular Weight350.16 g/mol
Exact Mass349.94
IUPAC Name4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(I)cc2N)n1
InChIInChI=1S/C10H8FIN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3
InChIKeyKUVALIXEKXWLIC-UHFFFAOYSA-N
XLogP3.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921605) is 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(F)c(I)cc2N)n1.
What is the InChIKey of 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is KUVALIXEKXWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 350.16 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).