2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

C15H9ClFNOS — CID 43118449

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNOS/c16-9-4-3-5-10(17)15(9)12(19)8-14-18-11-6-1-2-7-13(11)20-14/h1-7H,8H2
InChIKeyHLSXZSXEJYMRST-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.51
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 43118449) has the molecular formula C15H9ClFNOS and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
PubChem CID43118449
Molecular FormulaC15H9ClFNOS
Molecular Weight305.76 g/mol
Exact Mass305.01
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)c1c(F)cccc1Cl
InChIInChI=1S/C15H9ClFNOS/c16-9-4-3-5-10(17)15(9)12(19)8-14-18-11-6-1-2-7-13(11)20-14/h1-7H,8H2
InChIKeyHLSXZSXEJYMRST-UHFFFAOYSA-N
XLogP4.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 115787180
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
1-(3-amino-4-chlorophenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116552292
2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63213569
1,3-benzothiazol-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
CID 2391041
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
N-(1,3-benzothiazol-2-yl)-2,6-dichloro-N-(2,6-dichlorobenzoyl)benzamide
CID 4625786
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (CID 43118449) is 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1nc2ccccc2s1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is HLSXZSXEJYMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNOS/c16-9-4-3-5-10(17)15(9)12(19)8-14-18-11-6-1-2-7-13(11)20-14/h1-7H,8H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 305.76 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 43118449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).