3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole

C10H8Cl2N2OS — CID 61057608

IUPAC3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3
InChIKeySULPDJNZXPIHPY-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.25
Rot. Bonds2

About 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole

3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole (PubChem CID 61057608) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
PubChem CID61057608
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1cc(Oc2nsnc2Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3
InChIKeySULPDJNZXPIHPY-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 60726053
3-chloro-4-(3-ethoxyphenoxy)-1,2,5-thiadiazole
CID 62335962
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
CID 102987996
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
CID 116801122
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole (CID 61057608) is 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole is Cc1cc(Oc2nsnc2Cl)cc(C)c1Cl.
What is the InChIKey of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
The InChIKey is SULPDJNZXPIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-5-3-7(4-6(2)8(5)11)15-10-9(12)13-16-14-10/h3-4H,1-2H3.
What are the key properties of 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole has a molecular weight of 275.16 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 61057608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).