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

C10H9FN2OS — CID 43259357

IUPAC3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyZMSGACZGUQFNFT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.97
Rot. Bonds2

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

3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 43259357) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID43259357
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyZMSGACZGUQFNFT-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 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (CID 43259357) is 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is Cc1csc(Oc2ccc(N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is ZMSGACZGUQFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3.
What are the key properties of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
3-fluoro-4-[(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 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 43259357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).