1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone

C14H14BrNO2S — CID 113265047

IUPAC1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1nc(C)c(C)s1
InChIInChI=1S/C14H14BrNO2S/c1-8-10(3)19-14(16-8)7-18-13-6-11(15)4-5-12(13)9(2)17/h4-6H,7H2,1-3H3
InChIKeyPPZBYXJRSKYLRD-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone

1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 113265047) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
PubChem CID113265047
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1nc(C)c(C)s1
InChIInChI=1S/C14H14BrNO2S/c1-8-10(3)19-14(16-8)7-18-13-6-11(15)4-5-12(13)9(2)17/h4-6H,7H2,1-3H3
InChIKeyPPZBYXJRSKYLRD-UHFFFAOYSA-N
XLogP4.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826
5-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzonitrile
CID 80605077
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 103804028
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
CID 82827217
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[4-bromo-2-(3,3-dimethylbutoxy)phenyl]ethanone
CID 82971528
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone (CID 113265047) is 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(Br)cc1OCc1nc(C)c(C)s1.
What is the InChIKey of 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is PPZBYXJRSKYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-8-10(3)19-14(16-8)7-18-13-6-11(15)4-5-12(13)9(2)17/h4-6H,7H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 340.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 113265047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).