2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline

C15H11FN2S — CID 61267909

IUPAC2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C15H11FN2S/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-9H,17H2
InChIKeyQIHCLCGNCYKOEP-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.20
Rot. Bonds2

About 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline

2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 61267909) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline
PubChem CID61267909
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C15H11FN2S/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-9H,17H2
InChIKeyQIHCLCGNCYKOEP-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline (CID 61267909) is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline is Nc1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is QIHCLCGNCYKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-9H,17H2.
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline?
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 270.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 61267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).