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

C15H10ClFN2S — CID 43667919

IUPAC3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)c1
InChIInChI=1S/C15H10ClFN2S/c16-12-7-9(4-5-13(12)17)14-8-20-15(19-14)10-2-1-3-11(18)6-10/h1-8H,18H2
InChIKeyVGJKWYJXUYTWAL-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.85
Rot. Bonds2

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

3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667919) has the molecular formula C15H10ClFN2S and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
PubChem CID43667919
Molecular FormulaC15H10ClFN2S
Molecular Weight304.78 g/mol
Exact Mass304.02
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)c1
InChIInChI=1S/C15H10ClFN2S/c16-12-7-9(4-5-13(12)17)14-8-20-15(19-14)10-2-1-3-11(18)6-10/h1-8H,18H2
InChIKeyVGJKWYJXUYTWAL-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.85
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

3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412
4-(3,4-dichlorophenyl)-2-[4-(2,5-difluorophenyl)phenyl]-1,3-thiazole
CID 89454701
3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 81495135
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline (CID 43667919) is 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline is Nc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)c1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is VGJKWYJXUYTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2S/c16-12-7-9(4-5-13(12)17)14-8-20-15(19-14)10-2-1-3-11(18)6-10/h1-8H,18H2.
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline?
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 304.78 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).