4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline

C15H10F2N2S — CID 43667850

IUPAC4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2S/c16-10-3-6-13(17)12(7-10)14-8-20-15(19-14)9-1-4-11(18)5-2-9/h1-8H,18H2
InChIKeyUAUBQPATVSRUEK-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.34
Rot. Bonds2

About 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667850) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
PubChem CID43667850
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2S/c16-10-3-6-13(17)12(7-10)14-8-20-15(19-14)9-1-4-11(18)5-2-9/h1-8H,18H2
InChIKeyUAUBQPATVSRUEK-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620531
4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
CID 9232581
4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
CID 89454701
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
CID 107935455
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966828
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
CID 136794251
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854880
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline (CID 43667850) is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline is Nc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is UAUBQPATVSRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c16-10-3-6-13(17)12(7-10)14-8-20-15(19-14)9-1-4-11(18)5-2-9/h1-8H,18H2.
What are the key properties of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline?
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 288.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).