5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole

C11H11ClN2OS — CID 43407935

IUPAC5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
SMILESCc1cc(C)cc(OCc2nnsc2Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7-3-8(2)5-9(4-7)15-6-10-11(12)16-14-13-10/h3-5H,6H2,1-2H3
InChIKeyBMNDFZNWIUAMEK-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.39
Rot. Bonds3

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

5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole (PubChem CID 43407935) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
PubChem CID43407935
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
SMILESCc1cc(C)cc(OCc2nnsc2Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7-3-8(2)5-9(4-7)15-6-10-11(12)16-14-13-10/h3-5H,6H2,1-2H3
InChIKeyBMNDFZNWIUAMEK-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole (CID 43407935) is 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole is Cc1cc(C)cc(OCc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole?
The InChIKey is BMNDFZNWIUAMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-3-8(2)5-9(4-7)15-6-10-11(12)16-14-13-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole?
5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole has a molecular weight of 254.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 43407935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).