5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole

C11H11ClN2O2S — CID 46318449

IUPAC5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
SMILESCOc1ccc(Cc2nsc(Cl)n2)cc1OC
InChIInChI=1S/C11H11ClN2O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-13-11(12)17-14-10/h3-5H,6H2,1-2H3
InChIKeyUGRIPVJQHKCTFL-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole

5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole (PubChem CID 46318449) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
PubChem CID46318449
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
SMILESCOc1ccc(Cc2nsc(Cl)n2)cc1OC
InChIInChI=1S/C11H11ClN2O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-13-11(12)17-14-10/h3-5H,6H2,1-2H3
InChIKeyUGRIPVJQHKCTFL-UHFFFAOYSA-N
XLogP2.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
5-[(3,4-dimethoxyphenyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 102943641
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 3946128
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
CID 65266633
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole (CID 46318449) is 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole is COc1ccc(Cc2nsc(Cl)n2)cc1OC.
What is the InChIKey of 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole?
The InChIKey is UGRIPVJQHKCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-13-11(12)17-14-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole?
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole has a molecular weight of 270.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 46318449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).