[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane

C15H9BrF5NS2 — CID 102334757

IUPAC[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C15H9BrF5NS2/c16-12-5-1-10(2-6-12)14-9-23-15(22-14)11-3-7-13(8-4-11)24(17,18,19,20)21/h1-9H
InChIKeySSHQQPSIZLZPJH-UHFFFAOYSA-N
MW442.27 g/mol
LogP7.90
Rot. Bonds3

About [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane

[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane (PubChem CID 102334757) has the molecular formula C15H9BrF5NS2 and a molecular weight of 442.27 g/mol. Its IUPAC name is [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
PubChem CID102334757
Molecular FormulaC15H9BrF5NS2
Molecular Weight442.27 g/mol
Exact Mass440.93
IUPAC Name[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C15H9BrF5NS2/c16-12-5-1-10(2-6-12)14-9-23-15(22-14)11-3-7-13(8-4-11)24(17,18,19,20)21/h1-9H
InChIKeySSHQQPSIZLZPJH-UHFFFAOYSA-N
XLogP7.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.27
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
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
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
CID 79832283
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane (CID 102334757) is [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is SSHQQPSIZLZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF5NS2/c16-12-5-1-10(2-6-12)14-9-23-15(22-14)11-3-7-13(8-4-11)24(17,18,19,20)21/h1-9H.
What are the key properties of [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane?
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 442.27 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 102334757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).