2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

C12H10ClFN2OS — CID 102622397

IUPAC2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c1-2-10-12(18-16-15-10)11(17)6-7-5-8(14)3-4-9(7)13/h3-5H,2,6H2,1H3
InChIKeyJELGDMRJAGHWSL-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (PubChem CID 102622397) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
PubChem CID102622397
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
SMILESCCc1nnsc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10ClFN2OS/c1-2-10-12(18-16-15-10)11(17)6-7-5-8(14)3-4-9(7)13/h3-5H,2,6H2,1H3
InChIKeyJELGDMRJAGHWSL-UHFFFAOYSA-N
XLogP3.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone (CID 102622397) is 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is CCc1nnsc1C(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
The InChIKey is JELGDMRJAGHWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-2-10-12(18-16-15-10)11(17)6-7-5-8(14)3-4-9(7)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone has a molecular weight of 284.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 102622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).