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

C16H12BrNS2 — CID 78907479

IUPAC2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrNS2/c1-19-14-8-4-11(5-9-14)15-10-20-16(18-15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyXISKFRVZXUNJAU-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.96
Rot. Bonds3

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

2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole (PubChem CID 78907479) has the molecular formula C16H12BrNS2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
PubChem CID78907479
Molecular FormulaC16H12BrNS2
Molecular Weight362.32 g/mol
Exact Mass360.96
IUPAC Name2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrNS2/c1-19-14-8-4-11(5-9-14)15-10-20-16(18-15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyXISKFRVZXUNJAU-UHFFFAOYSA-N
XLogP5.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 177474050
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061949
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole (CID 78907479) is 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole is CSc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The InChIKey is XISKFRVZXUNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNS2/c1-19-14-8-4-11(5-9-14)15-10-20-16(18-15)12-2-6-13(17)7-3-12/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole?
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole has a molecular weight of 362.32 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 78907479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).