2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole

C16H12BrNS — CID 71452573

IUPAC2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)cs2)c(Br)c1
InChIInChI=1S/C16H12BrNS/c1-11-7-8-13(14(17)9-11)16-18-15(10-19-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySHPBOUOXAODXOP-UHFFFAOYSA-N
MW330.25 g/mol
LogP5.55
Rot. Bonds2

About 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole

2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole (PubChem CID 71452573) has the molecular formula C16H12BrNS and a molecular weight of 330.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole
PubChem CID71452573
Molecular FormulaC16H12BrNS
Molecular Weight330.25 g/mol
Exact Mass328.99
IUPAC Name2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)cs2)c(Br)c1
InChIInChI=1S/C16H12BrNS/c1-11-7-8-13(14(17)9-11)16-18-15(10-19-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeySHPBOUOXAODXOP-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole (CID 71452573) is 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole is Cc1ccc(-c2nc(-c3ccccc3)cs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is SHPBOUOXAODXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS/c1-11-7-8-13(14(17)9-11)16-18-15(10-19-16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole?
2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 330.25 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 71452573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).