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

C10H9ClN2OS — CID 60726072

IUPAC3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1ccc(Oc2nsnc2Cl)c(C)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3
InChIKeyGFWJWRGCOURQDA-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.60
Rot. Bonds2

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

3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole (PubChem CID 60726072) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
PubChem CID60726072
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
SMILESCc1ccc(Oc2nsnc2Cl)c(C)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3
InChIKeyGFWJWRGCOURQDA-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
CID 57159960
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
CID 57093883
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63550126
1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
CID 123528023
2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
CID 114044056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole (CID 60726072) is 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole is Cc1ccc(Oc2nsnc2Cl)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole?
The InChIKey is GFWJWRGCOURQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-3-4-8(7(2)5-6)14-10-9(11)12-15-13-10/h3-5H,1-2H3.
What are the key properties of 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 60726072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).