5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C16H10BrN3S — CID 4057474

IUPAC5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESBrc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1
InChIInChI=1S/C16H10BrN3S/c17-13-8-6-11(7-9-13)14-10-21-16-19-18-15(20(14)16)12-4-2-1-3-5-12/h1-10H
InChIKeyCUSVHOCNTMNVJW-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.89
Rot. Bonds2

About 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 4057474) has the molecular formula C16H10BrN3S and a molecular weight of 356.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID4057474
Molecular FormulaC16H10BrN3S
Molecular Weight356.25 g/mol
Exact Mass354.98
IUPAC Name5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESBrc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1
InChIInChI=1S/C16H10BrN3S/c17-13-8-6-11(7-9-13)14-10-21-16-19-18-15(20(14)16)12-4-2-1-3-5-12/h1-10H
InChIKeyCUSVHOCNTMNVJW-UHFFFAOYSA-N
XLogP4.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 4057474) is 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is Brc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is CUSVHOCNTMNVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3S/c17-13-8-6-11(7-9-13)14-10-21-16-19-18-15(20(14)16)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 356.25 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 4057474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).