2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone

C11H6ClF2NOS — CID 83969157

IUPAC2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(CCl)c1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C11H6ClF2NOS/c12-4-10(16)11-15-9(5-17-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2
InChIKeyBHEFRMNCZOHJOC-UHFFFAOYSA-N
MW273.69 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone

2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 83969157) has the molecular formula C11H6ClF2NOS and a molecular weight of 273.69 g/mol. Its IUPAC name is 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID83969157
Molecular FormulaC11H6ClF2NOS
Molecular Weight273.69 g/mol
Exact Mass272.98
IUPAC Name2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
SMILESO=C(CCl)c1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C11H6ClF2NOS/c12-4-10(16)11-15-9(5-17-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2
InChIKeyBHEFRMNCZOHJOC-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanone
CID 83969143
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
2-chloro-1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 83969147
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone (CID 83969157) is 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone is O=C(CCl)c1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is BHEFRMNCZOHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NOS/c12-4-10(16)11-15-9(5-17-11)6-1-2-7(13)8(14)3-6/h1-3,5H,4H2.
What are the key properties of 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone?
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 273.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 83969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).