4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline

C10H9FN2OS — CID 43364049

IUPAC4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2cc(F)ccc2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3
InChIKeyOKFQVXNZOXORSZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.97
Rot. Bonds2

About 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline

4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 43364049) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID43364049
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2cc(F)ccc2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3
InChIKeyOKFQVXNZOXORSZ-UHFFFAOYSA-N
XLogP2.97
TPSA48.14 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 ≤ 52.97
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 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (CID 43364049) is 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is Cc1csc(Oc2cc(F)ccc2N)n1.
What is the InChIKey of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is OKFQVXNZOXORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3.
What are the key properties of 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 224.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 43364049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).