1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone

C14H13Cl2NO2S — CID 62030972

IUPAC1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
SMILESCc1ncsc1CCOCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-9-14(20-8-17-9)4-5-19-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyILGIUKFKCUDYJO-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.20
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone

1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone (PubChem CID 62030972) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
PubChem CID62030972
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
SMILESCc1ncsc1CCOCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-9-14(20-8-17-9)4-5-19-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,8H,4-5,7H2,1H3
InChIKeyILGIUKFKCUDYJO-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 43376685
1-(2,5-dibromothiophen-3-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031359
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
N-(5-amino-2-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 29036846
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 42983019
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
1-(3,4-dichlorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43801034
4-chloro-3-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 99780348

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone (CID 62030972) is 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone is Cc1ncsc1CCOCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The InChIKey is ILGIUKFKCUDYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-9-14(20-8-17-9)4-5-19-7-13(18)10-2-3-11(15)12(16)6-10/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone has a molecular weight of 330.24 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone is sourced from PubChem (CID 62030972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).