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

C12H10BrNO2S — CID 67759076

IUPAC1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(COc2ncc(Br)s2)cc1
InChIInChI=1S/C12H10BrNO2S/c1-8(15)10-4-2-9(3-5-10)7-16-12-14-6-11(13)17-12/h2-6H,7H2,1H3
InChIKeyHNSKNXQTUCKVHO-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.69
Rot. Bonds4

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

1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone (PubChem CID 67759076) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone
PubChem CID67759076
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(COc2ncc(Br)s2)cc1
InChIInChI=1S/C12H10BrNO2S/c1-8(15)10-4-2-9(3-5-10)7-16-12-14-6-11(13)17-12/h2-6H,7H2,1H3
InChIKeyHNSKNXQTUCKVHO-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
CID 61347023
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
CID 82827387
2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine
CID 102769593
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
(4-acetylphenyl)methyl nitrate
CID 58158806
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
CID 159078637

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone (CID 67759076) is 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone is CC(=O)c1ccc(COc2ncc(Br)s2)cc1.
What is the InChIKey of 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone?
The InChIKey is HNSKNXQTUCKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-8(15)10-4-2-9(3-5-10)7-16-12-14-6-11(13)17-12/h2-6H,7H2,1H3.
What are the key properties of 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone?
1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone has a molecular weight of 312.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone is sourced from PubChem (CID 67759076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).