2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole

C15H11BrN2S — CID 79817242

IUPAC2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole
SMILESBrc1cccc(Cc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C15H11BrN2S/c16-14-8-4-7-12(17-14)9-15-18-13(10-19-15)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyXOPCVLPUGKGDMY-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.56
Rot. Bonds3

About 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole

2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole (PubChem CID 79817242) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole
PubChem CID79817242
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole
SMILESBrc1cccc(Cc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C15H11BrN2S/c16-14-8-4-7-12(17-14)9-15-18-13(10-19-15)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyXOPCVLPUGKGDMY-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79828189
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole (CID 79817242) is 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole is Brc1cccc(Cc2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole?
The InChIKey is XOPCVLPUGKGDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-14-8-4-7-12(17-14)9-15-18-13(10-19-15)11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole?
2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole has a molecular weight of 331.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 79817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).