1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one

C15H16BrNO2S — CID 62031358

IUPAC1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
SMILESCc1ncsc1CCOC(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-10-14(20-9-17-10)7-8-19-11(2)15(18)12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3
InChIKeyTYTKOIOFTDXGGQ-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one

1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one (PubChem CID 62031358) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
PubChem CID62031358
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
SMILESCc1ncsc1CCOC(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-10-14(20-9-17-10)7-8-19-11(2)15(18)12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3
InChIKeyTYTKOIOFTDXGGQ-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63836612
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
CID 62030222
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
1-(4-chlorophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63838727
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one
CID 79108638

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one (CID 62031358) is 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one is Cc1ncsc1CCOC(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The InChIKey is TYTKOIOFTDXGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10-14(20-9-17-10)7-8-19-11(2)15(18)12-3-5-13(16)6-4-12/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one has a molecular weight of 354.27 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one is sourced from PubChem (CID 62031358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).