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

C16H12BrNOS — CID 79831089

IUPAC2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C16H12BrNOS/c1-19-15-9-5-3-7-12(15)14-10-20-16(18-14)11-6-2-4-8-13(11)17/h2-10H,1H3
InChIKeyPNBGLUGQZYAILE-UHFFFAOYSA-N
MW346.25 g/mol
LogP5.25
Rot. Bonds3

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

2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 79831089) has the molecular formula C16H12BrNOS and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
PubChem CID79831089
Molecular FormulaC16H12BrNOS
Molecular Weight346.25 g/mol
Exact Mass344.98
IUPAC Name2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-c2ccccc2Br)n1
InChIInChI=1S/C16H12BrNOS/c1-19-15-9-5-3-7-12(15)14-10-20-16(18-14)11-6-2-4-8-13(11)17/h2-10H,1H3
InChIKeyPNBGLUGQZYAILE-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.25
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
CID 35618487
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
CID 79831158
4-bromo-3-methoxy-6-(2-methoxyphenyl)pyridazine
CID 117107100
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole (CID 79831089) is 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1csc(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is PNBGLUGQZYAILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNOS/c1-19-15-9-5-3-7-12(15)14-10-20-16(18-14)11-6-2-4-8-13(11)17/h2-10H,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 346.25 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 79831089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).