2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane

C12H14BrNS — CID 145337663

IUPAC2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrNS.C2H6/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3
InChIKeyHHQTUOPYEDRAIT-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.91
Rot. Bonds1

About 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane

2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane (PubChem CID 145337663) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
PubChem CID145337663
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC Name2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrNS.C2H6/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3
InChIKeyHHQTUOPYEDRAIT-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
sodium 2-(4-bromophenyl)-1,3-thiazole-4-sulfinate
CID 165455171
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-methyl-1,3-thiazole;ethane?
The IUPAC name of 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane (CID 145337663) is 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane?
The canonical SMILES for 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane is CC.Cc1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane?
The InChIKey is HHQTUOPYEDRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS.C2H6/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane?
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane has a molecular weight of 284.22 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 145337663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).