2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline

C16H13FN2S — CID 155280112

IUPAC2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline
SMILESCc1sncc1-c1ccc(-c2cccc(F)c2)c(N)c1
InChIInChI=1S/C16H13FN2S/c1-10-15(9-19-20-10)12-5-6-14(16(18)8-12)11-3-2-4-13(17)7-11/h2-9H,18H2,1H3
InChIKeyAYGGLKZOHXLLEO-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.51
Rot. Bonds2

About 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline

2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline (PubChem CID 155280112) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline
PubChem CID155280112
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline
SMILESCc1sncc1-c1ccc(-c2cccc(F)c2)c(N)c1
InChIInChI=1S/C16H13FN2S/c1-10-15(9-19-20-10)12-5-6-14(16(18)8-12)11-3-2-4-13(17)7-11/h2-9H,18H2,1H3
InChIKeyAYGGLKZOHXLLEO-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.51
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-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline?
The IUPAC name of 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline (CID 155280112) is 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline?
The canonical SMILES for 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline is Cc1sncc1-c1ccc(-c2cccc(F)c2)c(N)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline?
The InChIKey is AYGGLKZOHXLLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-10-15(9-19-20-10)12-5-6-14(16(18)8-12)11-3-2-4-13(17)7-11/h2-9H,18H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline?
2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline has a molecular weight of 284.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(5-methyl-1,2-thiazol-4-yl)aniline is sourced from PubChem (CID 155280112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).