2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole

C13H14BrNS — CID 82490061

IUPAC2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(CCc2ccccc2Br)sc1C
InChIInChI=1S/C13H14BrNS/c1-9-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)14/h3-6H,7-8H2,1-2H3
InChIKeySQQMUTIIBLRAGJ-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole

2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 82490061) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
PubChem CID82490061
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(CCc2ccccc2Br)sc1C
InChIInChI=1S/C13H14BrNS/c1-9-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)14/h3-6H,7-8H2,1-2H3
InChIKeySQQMUTIIBLRAGJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
CID 82489775
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
2-[(2-bromophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422776
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82475385
4-bromo-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82124919
1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108897956
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluoroaniline
CID 82119304
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62830555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole (CID 82490061) is 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(CCc2ccccc2Br)sc1C.
What is the InChIKey of 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is SQQMUTIIBLRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-10(2)16-13(15-9)8-7-11-5-3-4-6-12(11)14/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole?
2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 296.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 82490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).