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

C11H9ClN2O2S — CID 39991818

IUPAC1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-7(15)8-2-4-9(5-3-8)16-6-10-11(12)17-14-13-10/h2-5H,6H2,1H3
InChIKeyGYWHNKBNKDLRBR-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.97
Rot. Bonds4

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

1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 39991818) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone
PubChem CID39991818
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C11H9ClN2O2S/c1-7(15)8-2-4-9(5-3-8)16-6-10-11(12)17-14-13-10/h2-5H,6H2,1H3
InChIKeyGYWHNKBNKDLRBR-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.97
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
[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 51110491
1-[2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 75384581
5-Chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole
CID 107169123
4-[(5-Chlorothiadiazol-4-yl)methoxy]-2-fluorobenzoic acid
CID 113988193
2-[(5-Chlorothiadiazol-4-yl)methoxy]benzamide
CID 24236490
2-[(5-Chlorothiadiazol-4-yl)methoxy]benzoic acid
CID 22500931
(4-Acetylphenyl) 4-ethylthiadiazole-5-carboxylate
CID 9191793
7-[(5-Chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 9319100

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone (CID 39991818) is 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2nnsc2Cl)cc1.
What is the InChIKey of 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is GYWHNKBNKDLRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-7(15)8-2-4-9(5-3-8)16-6-10-11(12)17-14-13-10/h2-5H,6H2,1H3.
What are the key properties of 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone?
1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 268.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 39991818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).