4-bromo-2-phenyl-1,3-thiazole

C9H6BrNS — CID 11831528

IUPAC4-bromo-2-phenyl-1,3-thiazole
SMILESBrc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6BrNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyXGBWZNGTYRKKFE-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.57
Rot. Bonds1

About 4-bromo-2-phenyl-1,3-thiazole

4-bromo-2-phenyl-1,3-thiazole (PubChem CID 11831528) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 4-bromo-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-phenyl-1,3-thiazole
PubChem CID11831528
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name4-bromo-2-phenyl-1,3-thiazole
SMILESBrc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6BrNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyXGBWZNGTYRKKFE-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-phenyl-1,3-thiazole?
The IUPAC name of 4-bromo-2-phenyl-1,3-thiazole (CID 11831528) is 4-bromo-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-bromo-2-phenyl-1,3-thiazole is Brc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-bromo-2-phenyl-1,3-thiazole?
The InChIKey is XGBWZNGTYRKKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-bromo-2-phenyl-1,3-thiazole?
4-bromo-2-phenyl-1,3-thiazole has a molecular weight of 240.13 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-phenyl-1,3-thiazole is sourced from PubChem (CID 11831528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).