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

C15H11BrN2S — CID 61269008

IUPAC2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN2S/c16-11-7-5-10(6-8-11)15-18-14(9-19-15)12-3-1-2-4-13(12)17/h1-9H,17H2
InChIKeyJPABQWJQQIGMLL-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.82
Rot. Bonds2

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

2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 61269008) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
PubChem CID61269008
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccccc1-c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN2S/c16-11-7-5-10(6-8-11)15-18-14(9-19-15)12-3-1-2-4-13(12)17/h1-9H,17H2
InChIKeyJPABQWJQQIGMLL-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.82
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-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline (CID 61269008) is 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline is Nc1ccccc1-c1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is JPABQWJQQIGMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-11-7-5-10(6-8-11)15-18-14(9-19-15)12-3-1-2-4-13(12)17/h1-9H,17H2.
What are the key properties of 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline?
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 331.24 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 61269008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).