1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone

C11H8ClFN2O2S — CID 75384581

IUPAC1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1nnsc1Cl
InChIInChI=1S/C11H8ClFN2O2S/c1-6(16)8-3-2-7(13)4-10(8)17-5-9-11(12)18-15-14-9/h2-4H,5H2,1H3
InChIKeyYCWMCNXETDJAGH-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone

1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone (PubChem CID 75384581) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
PubChem CID75384581
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC Name1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCc1nnsc1Cl
InChIInChI=1S/C11H8ClFN2O2S/c1-6(16)8-3-2-7(13)4-10(8)17-5-9-11(12)18-15-14-9/h2-4H,5H2,1H3
InChIKeyYCWMCNXETDJAGH-UHFFFAOYSA-N
XLogP3.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]-benzenecarbaldehyde
CID 2764040
2-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]benzenecarbaldehyde
CID 1479067
(5-Chlorothiadiazol-4-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 24495945
(5-Chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
CID 24520839
(3R)-7-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 40048947
(3S)-7-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 40048949
7-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 45858005
[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 51110491
(5-Chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)-3-methoxybenzoate
CID 55419939
(5-Chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55421061
1-(2-Fluoro-6-methoxyphenyl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 71998296
(E)-1-(2-fluoro-6-methoxyphenyl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 75407822

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone (CID 75384581) is 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1OCc1nnsc1Cl.
What is the InChIKey of 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
The InChIKey is YCWMCNXETDJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c1-6(16)8-3-2-7(13)4-10(8)17-5-9-11(12)18-15-14-9/h2-4H,5H2,1H3.
What are the key properties of 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone?
1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone has a molecular weight of 286.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone is sourced from PubChem (CID 75384581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).