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

C11H8Cl2N2OS — CID 133424386

IUPAC3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
SMILESClc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H8Cl2N2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyNGFHQJVOJPDYMT-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.51
Rot. Bonds3

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

3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole (PubChem CID 133424386) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
PubChem CID133424386
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole
SMILESClc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1
InChIInChI=1S/C11H8Cl2N2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyNGFHQJVOJPDYMT-UHFFFAOYSA-N
XLogP4.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole (CID 133424386) is 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole is Clc1ccc(Cl)c(Oc2nc(C3CC3)ns2)c1.
What is the InChIKey of 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole?
The InChIKey is NGFHQJVOJPDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole has a molecular weight of 287.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,5-dichlorophenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 133424386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).