3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine

C8H6ClN3OS — CID 131565441

IUPAC3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Oc2cccc(Cl)c2)ns1
InChIInChI=1S/C8H6ClN3OS/c9-5-2-1-3-6(4-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12)
InChIKeyGGTYTHIGDMAJIH-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine

3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine (PubChem CID 131565441) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine
PubChem CID131565441
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Oc2cccc(Cl)c2)ns1
InChIInChI=1S/C8H6ClN3OS/c9-5-2-1-3-6(4-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12)
InChIKeyGGTYTHIGDMAJIH-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine (CID 131565441) is 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine is Nc1nc(Oc2cccc(Cl)c2)ns1.
What is the InChIKey of 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine?
The InChIKey is GGTYTHIGDMAJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-5-2-1-3-6(4-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12).
What are the key properties of 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine?
3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131565441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).