5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole

C9H6Cl2N2OS — CID 133424423

IUPAC5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2OS/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyRMPLPAJSKZDMML-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.95
Rot. Bonds2

About 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole

5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 133424423) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID133424423
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2OS/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyRMPLPAJSKZDMML-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 133425349
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CID 133425387
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CID 133425392
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CID 133425395
CID 133425395
CID 13106144
CID 13106144
CID 131565441
CID 131565441
CID 1214865
CID 1214865
CID 13360512
CID 13360512
CID 56688916
CID 56688916
CID 65267968
CID 65267968
CID 65272234
CID 65272234

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole (CID 133424423) is 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is RMPLPAJSKZDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3.
What are the key properties of 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole?
5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole has a molecular weight of 261.13 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenoxy)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133424423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).