4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine

C15H11BrN2S — CID 679466

IUPAC4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18)
InChIKeyWSEYNFJNIBSAIT-UHFFFAOYSA-N
MW331.24 g/mol
LogP5.32
Rot. Bonds3

About 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 679466) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID679466
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C15H11BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18)
InChIKeyWSEYNFJNIBSAIT-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.24
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine (CID 679466) is 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine is Brc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is WSEYNFJNIBSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-12-8-6-11(7-9-12)14-10-19-15(18-14)17-13-4-2-1-3-5-13/h1-10H,(H,17,18).
What are the key properties of 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 331.24 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 679466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).