2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

C10H6ClFN2OS — CID 102622399

IUPAC2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cnns1
InChIInChI=1S/C10H6ClFN2OS/c11-8-2-1-7(12)3-6(8)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2
InChIKeyWXLZRBMACGNTJL-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 102622399) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID102622399
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cnns1
InChIInChI=1S/C10H6ClFN2OS/c11-8-2-1-7(12)3-6(8)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2
InChIKeyWXLZRBMACGNTJL-UHFFFAOYSA-N
XLogP2.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
CID 105396790
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
3-amino-1-(2-chloro-5-fluorophenyl)-3-methylbutan-2-one
CID 96600920
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 105083852
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
CID 102617672
2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 106267390
1-(2-chloro-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446364

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (CID 102622399) is 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1cnns1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is WXLZRBMACGNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-8-2-1-7(12)3-6(8)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 256.69 g/mol, XLogP of 2.76, 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-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 102622399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).