5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole

C12H11ClN2OS — CID 133424568

IUPAC5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H11ClN2OS/c1-7-2-5-9(13)10(6-7)16-12-14-11(15-17-12)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyLEUAIJDBQKEGGS-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.17
Rot. Bonds3

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

5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 133424568) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID133424568
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H11ClN2OS/c1-7-2-5-9(13)10(6-7)16-12-14-11(15-17-12)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyLEUAIJDBQKEGGS-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 133424568) is 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Cc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is LEUAIJDBQKEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-2-5-9(13)10(6-7)16-12-14-11(15-17-12)8-3-4-8/h2,5-6,8H,3-4H2,1H3.
What are the key properties of 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 266.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 133424568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).