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

C11H8ClFN2OS — CID 102622394

IUPAC2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2OS/c1-6-11(17-15-14-6)10(16)5-7-4-8(13)2-3-9(7)12/h2-4H,5H2,1H3
InChIKeyDDHDOHZRAULCPF-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.06
Rot. Bonds3

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

2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 102622394) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID102622394
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H8ClFN2OS/c1-6-11(17-15-14-6)10(16)5-7-4-8(13)2-3-9(7)12/h2-4H,5H2,1H3
InChIKeyDDHDOHZRAULCPF-UHFFFAOYSA-N
XLogP3.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.06
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-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 102622394) is 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone is Cc1nnsc1C(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is DDHDOHZRAULCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-6-11(17-15-14-6)10(16)5-7-4-8(13)2-3-9(7)12/h2-4H,5H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 270.72 g/mol, XLogP of 3.06, 3 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-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 102622394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).