3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole

C10H9ClN2O2S — CID 43808069

IUPAC3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole
SMILESCOc1ccc(COc2nsnc2Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-14-8-4-2-7(3-5-8)6-15-10-9(11)12-16-13-10/h2-5H,6H2,1H3
InChIKeyRMBZSLXGMHXJJE-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.78
Rot. Bonds4

About 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole

3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 43808069) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole
PubChem CID43808069
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole
SMILESCOc1ccc(COc2nsnc2Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-14-8-4-2-7(3-5-8)6-15-10-9(11)12-16-13-10/h2-5H,6H2,1H3
InChIKeyRMBZSLXGMHXJJE-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

3-Chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
CID 15050038
3-Chloro-4-[2-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
CID 54915668
3-Chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
CID 60726745
3-Chloro-4-(2-fluoro-5-methylphenoxy)-1,2,5-thiadiazole
CID 64855783
4-[(4-Chloro-1,2,5-thiadiazol-3-yl)oxy]-2-fluorobenzonitrile
CID 80452802
3-Chloro-4-(4-fluoro-3-methylphenoxy)-1,2,5-thiadiazole
CID 81737092
3-Chloro-4-(4-fluoro-2-methylphenoxy)-1,2,5-thiadiazole
CID 81782106
3-Chloro-4-(5-fluoro-2-methylphenoxy)-1,2,5-thiadiazole
CID 102981481
3-Chloro-4-(3-fluoro-4-methylphenoxy)-1,2,5-thiadiazole
CID 107169131
3-Chloro-4-(2-fluoro-3-methylphenoxy)-1,2,5-thiadiazole
CID 107657860
4-[(4-Chloro-1,2,5-thiadiazol-3-yl)oxy]-3-fluorobenzonitrile
CID 107664648
3-Chloro-4-phenoxy-1,2,5-thiadiazole
CID 15050032

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole (CID 43808069) is 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole is COc1ccc(COc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is RMBZSLXGMHXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-14-8-4-2-7(3-5-8)6-15-10-9(11)12-16-13-10/h2-5H,6H2,1H3.
What are the key properties of 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole?
3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-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 3-chloro-4-[(4-methoxyphenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 43808069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).