5-bromo-2,4-diphenyl-1,3-thiazole

C15H10BrNS — CID 7537557

IUPAC5-bromo-2,4-diphenyl-1,3-thiazole
SMILESBrc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrNS/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10H
InChIKeyKKDPGKYZSJFNLZ-UHFFFAOYSA-N
MW316.22 g/mol
LogP5.24
Rot. Bonds2

About 5-bromo-2,4-diphenyl-1,3-thiazole

5-bromo-2,4-diphenyl-1,3-thiazole (PubChem CID 7537557) has the molecular formula C15H10BrNS and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-bromo-2,4-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2,4-diphenyl-1,3-thiazole
PubChem CID7537557
Molecular FormulaC15H10BrNS
Molecular Weight316.22 g/mol
Exact Mass314.97
IUPAC Name5-bromo-2,4-diphenyl-1,3-thiazole
SMILESBrc1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H10BrNS/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10H
InChIKeyKKDPGKYZSJFNLZ-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 5-bromo-2,4-diphenyl-1,3-thiazole?
The IUPAC name of 5-bromo-2,4-diphenyl-1,3-thiazole (CID 7537557) is 5-bromo-2,4-diphenyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2,4-diphenyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2,4-diphenyl-1,3-thiazole is Brc1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-bromo-2,4-diphenyl-1,3-thiazole?
The InChIKey is KKDPGKYZSJFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNS/c16-14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-bromo-2,4-diphenyl-1,3-thiazole?
5-bromo-2,4-diphenyl-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 5-bromo-2,4-diphenyl-1,3-thiazole is sourced from PubChem (CID 7537557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).