2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole

C11H10BrNS — CID 11265641

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
SMILESBrc1ccc(/C=C/C2=NCCS2)cc1
InChIInChI=1S/C11H10BrNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-6H,7-8H2/b6-3+
InChIKeyIALFEUXGZADWIH-ZZXKWVIFSA-N
MW268.18 g/mol
LogP3.61
Rot. Bonds2

About 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole

2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 11265641) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
PubChem CID11265641
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
SMILESBrc1ccc(/C=C/C2=NCCS2)cc1
InChIInChI=1S/C11H10BrNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-6H,7-8H2/b6-3+
InChIKeyIALFEUXGZADWIH-ZZXKWVIFSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole (CID 11265641) is 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole is Brc1ccc(/C=C/C2=NCCS2)cc1.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is IALFEUXGZADWIH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10BrNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-6H,7-8H2/b6-3+.
What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 268.18 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 11265641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).