4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline

C8H5Cl2N3OS — CID 107501029

IUPAC4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1nncs1
InChIInChI=1S/C8H5Cl2N3OS/c9-4-1-6(11)7(2-5(4)10)14-8-13-12-3-15-8/h1-3H,11H2
InChIKeyQFBICUUTNNEVBK-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.22
Rot. Bonds2

About 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline

4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline (PubChem CID 107501029) has the molecular formula C8H5Cl2N3OS and a molecular weight of 262.12 g/mol. Its IUPAC name is 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline
PubChem CID107501029
Molecular FormulaC8H5Cl2N3OS
Molecular Weight262.12 g/mol
Exact Mass260.95
IUPAC Name4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1nncs1
InChIInChI=1S/C8H5Cl2N3OS/c9-4-1-6(11)7(2-5(4)10)14-8-13-12-3-15-8/h1-3H,11H2
InChIKeyQFBICUUTNNEVBK-UHFFFAOYSA-N
XLogP3.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline?
The IUPAC name of 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline (CID 107501029) is 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline is Nc1cc(Cl)c(Cl)cc1Oc1nncs1.
What is the InChIKey of 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline?
The InChIKey is QFBICUUTNNEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3OS/c9-4-1-6(11)7(2-5(4)10)14-8-13-12-3-15-8/h1-3H,11H2.
What are the key properties of 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline?
4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline has a molecular weight of 262.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline is sourced from PubChem (CID 107501029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).