2-(1,2,4-thiadiazol-3-ylamino)phenol

C8H7N3OS — CID 70302069

IUPAC2-(1,2,4-thiadiazol-3-ylamino)phenol
SMILESOc1ccccc1Nc1ncsn1
InChIInChI=1S/C8H7N3OS/c12-7-4-2-1-3-6(7)10-8-9-5-13-11-8/h1-5,12H,(H,10,11)
InChIKeyPHHGXTZEINGXSK-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.99
Rot. Bonds2

About 2-(1,2,4-thiadiazol-3-ylamino)phenol

2-(1,2,4-thiadiazol-3-ylamino)phenol (PubChem CID 70302069) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-3-ylamino)phenol.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-3-ylamino)phenol
PubChem CID70302069
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-(1,2,4-thiadiazol-3-ylamino)phenol
SMILESOc1ccccc1Nc1ncsn1
InChIInChI=1S/C8H7N3OS/c12-7-4-2-1-3-6(7)10-8-9-5-13-11-8/h1-5,12H,(H,10,11)
InChIKeyPHHGXTZEINGXSK-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-3-ylamino)phenol?
The IUPAC name of 2-(1,2,4-thiadiazol-3-ylamino)phenol (CID 70302069) is 2-(1,2,4-thiadiazol-3-ylamino)phenol.
What is the SMILES notation for 2-(1,2,4-thiadiazol-3-ylamino)phenol?
The canonical SMILES for 2-(1,2,4-thiadiazol-3-ylamino)phenol is Oc1ccccc1Nc1ncsn1.
What is the InChIKey of 2-(1,2,4-thiadiazol-3-ylamino)phenol?
The InChIKey is PHHGXTZEINGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-7-4-2-1-3-6(7)10-8-9-5-13-11-8/h1-5,12H,(H,10,11).
What are the key properties of 2-(1,2,4-thiadiazol-3-ylamino)phenol?
2-(1,2,4-thiadiazol-3-ylamino)phenol has a molecular weight of 193.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-3-ylamino)phenol is sourced from PubChem (CID 70302069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).