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

C12H9Cl2NOS — CID 60977248

IUPAC1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H9Cl2NOS/c1-7-6-17-12(15-7)5-11(16)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3
InChIKeyDXFXHHJYSUCZPM-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.18
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 60977248) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID60977248
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H9Cl2NOS/c1-7-6-17-12(15-7)5-11(16)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3
InChIKeyDXFXHHJYSUCZPM-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 60977248) is 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is DXFXHHJYSUCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-7-6-17-12(15-7)5-11(16)9-4-8(13)2-3-10(9)14/h2-4,6H,5H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 286.18 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 60977248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).