2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline

C11H11FN2OS — CID 65168674

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
SMILESCc1nc(Oc2cc(F)ccc2N)sc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)16-11(14-6)15-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3
InChIKeyJOHDNDZYGHVPNH-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.27
Rot. Bonds2

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline

2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline (PubChem CID 65168674) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
PubChem CID65168674
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
SMILESCc1nc(Oc2cc(F)ccc2N)sc1C
InChIInChI=1S/C11H11FN2OS/c1-6-7(2)16-11(14-6)15-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3
InChIKeyJOHDNDZYGHVPNH-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.27
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-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline (CID 65168674) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline is Cc1nc(Oc2cc(F)ccc2N)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline?
The InChIKey is JOHDNDZYGHVPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6-7(2)16-11(14-6)15-10-5-8(12)3-4-9(10)13/h3-5H,13H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline has a molecular weight of 238.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline is sourced from PubChem (CID 65168674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).