2-(3-bromophenyl)-4-phenyl-1,3-thiazole

C15H10BrNS — CID 71456084

IUPAC2-(3-bromophenyl)-4-phenyl-1,3-thiazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H10BrNS/c16-13-8-4-7-12(9-13)15-17-14(10-18-15)11-5-2-1-3-6-11/h1-10H
InChIKeyDSZFUGCHOLVVRX-UHFFFAOYSA-N
MW316.22 g/mol
LogP5.24
Rot. Bonds2

About 2-(3-bromophenyl)-4-phenyl-1,3-thiazole

2-(3-bromophenyl)-4-phenyl-1,3-thiazole (PubChem CID 71456084) has the molecular formula C15H10BrNS and a molecular weight of 316.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-phenyl-1,3-thiazole
PubChem CID71456084
Molecular FormulaC15H10BrNS
Molecular Weight316.22 g/mol
Exact Mass314.97
IUPAC Name2-(3-bromophenyl)-4-phenyl-1,3-thiazole
SMILESBrc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C15H10BrNS/c16-13-8-4-7-12(9-13)15-17-14(10-18-15)11-5-2-1-3-6-11/h1-10H
InChIKeyDSZFUGCHOLVVRX-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-phenyl-1,3-thiazole (CID 71456084) is 2-(3-bromophenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-phenyl-1,3-thiazole is Brc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-phenyl-1,3-thiazole?
The InChIKey is DSZFUGCHOLVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNS/c16-13-8-4-7-12(9-13)15-17-14(10-18-15)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-(3-bromophenyl)-4-phenyl-1,3-thiazole?
2-(3-bromophenyl)-4-phenyl-1,3-thiazole has a molecular weight of 316.22 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 71456084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).