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

C15H11FN2S — CID 155271378

IUPAC2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1cccc(F)c1
InChIInChI=1S/C15H11FN2S/c16-12-3-1-2-10(8-12)13-5-4-11(9-14(13)17)15-6-7-18-19-15/h1-9H,17H2
InChIKeyZDUINQOTGRPIEJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.20
Rot. Bonds2

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

2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline (PubChem CID 155271378) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline
PubChem CID155271378
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline
SMILESNc1cc(-c2ccns2)ccc1-c1cccc(F)c1
InChIInChI=1S/C15H11FN2S/c16-12-3-1-2-10(8-12)13-5-4-11(9-14(13)17)15-6-7-18-19-15/h1-9H,17H2
InChIKeyZDUINQOTGRPIEJ-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-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline?
The IUPAC name of 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline (CID 155271378) is 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline?
The canonical SMILES for 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline is Nc1cc(-c2ccns2)ccc1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline?
The InChIKey is ZDUINQOTGRPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c16-12-3-1-2-10(8-12)13-5-4-11(9-14(13)17)15-6-7-18-19-15/h1-9H,17H2.
What are the key properties of 2-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline?
2-(3-fluorophenyl)-5-(1,2-thiazol-5-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-(3-fluorophenyl)-5-(1,2-thiazol-5-yl)aniline is sourced from PubChem (CID 155271378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).