1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone

C12H9ClFNOS — CID 63036168

IUPAC1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2ccc(F)cc2Cl)s1
InChIInChI=1S/C12H9ClFNOS/c1-7(16)11-6-15-12(17-11)4-8-2-3-9(14)5-10(8)13/h2-3,5-6H,4H2,1H3
InChIKeyXMLONIMFVNZLKZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.73
Rot. Bonds3

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

1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 63036168) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID63036168
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2ccc(F)cc2Cl)s1
InChIInChI=1S/C12H9ClFNOS/c1-7(16)11-6-15-12(17-11)4-8-2-3-9(14)5-10(8)13/h2-3,5-6H,4H2,1H3
InChIKeyXMLONIMFVNZLKZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]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-[(3,5-difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 62652802
2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782479
4-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919695
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 63038444
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-[(2-chloro-4-fluorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 63036011
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
CID 90882349
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796856

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone (CID 63036168) is 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(Cc2ccc(F)cc2Cl)s1.
What is the InChIKey of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is XMLONIMFVNZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-7(16)11-6-15-12(17-11)4-8-2-3-9(14)5-10(8)13/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).