1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone

C12H10ClNO2S — CID 82304946

IUPAC1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNO2S/c1-8(15)11-7-17-12(14-11)6-16-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3
InChIKeyVWWMYZQGFGQBRY-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 82304946) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID82304946
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClNO2S/c1-8(15)11-7-17-12(14-11)6-16-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3
InChIKeyVWWMYZQGFGQBRY-UHFFFAOYSA-N
XLogP3.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
2-[(3-chlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712426
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
CID 46008893
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165317
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone (CID 82304946) is 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is VWWMYZQGFGQBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8(15)11-7-17-12(14-11)6-16-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 267.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82304946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).