4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline

C15H10ClFN2S — CID 62501412

IUPAC4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C15H10ClFN2S/c16-11-2-1-3-12(17)14(11)15-19-13(8-20-15)9-4-6-10(18)7-5-9/h1-8H,18H2
InChIKeyZCGYAHFOUIWUCP-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.85
Rot. Bonds2

About 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline

4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 62501412) has the molecular formula C15H10ClFN2S and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
PubChem CID62501412
Molecular FormulaC15H10ClFN2S
Molecular Weight304.78 g/mol
Exact Mass304.02
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C15H10ClFN2S/c16-11-2-1-3-12(17)14(11)15-19-13(8-20-15)9-4-6-10(18)7-5-9/h1-8H,18H2
InChIKeyZCGYAHFOUIWUCP-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline (CID 62501412) is 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is ZCGYAHFOUIWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2S/c16-11-2-1-3-12(17)14(11)15-19-13(8-20-15)9-4-6-10(18)7-5-9/h1-8H,18H2.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline?
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-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 4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 62501412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).