5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole

C10H9ClN2O2S — CID 43407940

IUPAC5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
SMILESCOc1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C10H9ClN2O2S/c1-14-7-3-2-4-8(5-7)15-6-9-10(11)16-13-12-9/h2-5H,6H2,1H3
InChIKeySMYJHDKQIBKPLO-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole

5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole (PubChem CID 43407940) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
PubChem CID43407940
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
SMILESCOc1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C10H9ClN2O2S/c1-14-7-3-2-4-8(5-7)15-6-9-10(11)16-13-12-9/h2-5H,6H2,1H3
InChIKeySMYJHDKQIBKPLO-UHFFFAOYSA-N
XLogP2.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
CID 43407935
5-chloro-4-[(2,6-dimethylphenoxy)methyl]thiadiazole
CID 43407921
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
CID 60673612
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
CID 55044701
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole (CID 43407940) is 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole is COc1cccc(OCc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole?
The InChIKey is SMYJHDKQIBKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-14-7-3-2-4-8(5-7)15-6-9-10(11)16-13-12-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole?
5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole has a molecular weight of 256.71 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole is sourced from PubChem (CID 43407940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).