4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole

C17H14BrNS — CID 79839439

IUPAC4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C17H14BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2
InChIKeyOQBFNJKKCPXSHP-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole

4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole (PubChem CID 79839439) has the molecular formula C17H14BrNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
PubChem CID79839439
Molecular FormulaC17H14BrNS
Molecular Weight344.28 g/mol
Exact Mass343.00
IUPAC Name4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C17H14BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2
InChIKeyOQBFNJKKCPXSHP-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]benzonitrile
CID 61223904
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
CID 91928514
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-(4-bromophenyl)-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79831568
5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 86818870
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoic acid
CID 20983916
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62645718
4-(4-bromophenyl)-3-methyl-2-(2-phenylethyl)-1,3-thiazol-3-ium
CID 3271056

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole (CID 79839439) is 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole is Brc1ccc(-c2csc(CCc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole?
The InChIKey is OQBFNJKKCPXSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNS/c18-15-9-7-14(8-10-15)16-12-20-17(19-16)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2.
What are the key properties of 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole has a molecular weight of 344.28 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 79839439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).