4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole

C17H12BrNS — CID 155674112

IUPAC4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
SMILESBrc1ccc(-c2csc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C17H12BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-12H/b11-6+
InChIKeySYDBKCDQHZPJIJ-IZZDOVSWSA-N
MW342.26 g/mol
LogP5.74
Rot. Bonds3

About 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole

4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole (PubChem CID 155674112) has the molecular formula C17H12BrNS and a molecular weight of 342.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
PubChem CID155674112
Molecular FormulaC17H12BrNS
Molecular Weight342.26 g/mol
Exact Mass340.99
IUPAC Name4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
SMILESBrc1ccc(-c2csc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C17H12BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-12H/b11-6+
InChIKeySYDBKCDQHZPJIJ-IZZDOVSWSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.26
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole (CID 155674112) is 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole is Brc1ccc(-c2csc(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole?
The InChIKey is SYDBKCDQHZPJIJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H12BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-12H/b11-6+.
What are the key properties of 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole?
4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole has a molecular weight of 342.26 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole is sourced from PubChem (CID 155674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).