2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol

C10H9N3O2S — CID 5411396

IUPAC2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol
SMILESCOc1c(O)cccc1/C=N\c1nncs1
InChIInChI=1S/C10H9N3O2S/c1-15-9-7(3-2-4-8(9)14)5-11-10-13-12-6-16-10/h2-6,14H,1H3/b11-5-
InChIKeyDMLOQJWUFWRSKK-WZUFQYTHSA-N
MW235.27 g/mol
LogP2.00
Rot. Bonds3

About 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol

2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol (PubChem CID 5411396) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol
PubChem CID5411396
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol
SMILESCOc1c(O)cccc1/C=N\c1nncs1
InChIInChI=1S/C10H9N3O2S/c1-15-9-7(3-2-4-8(9)14)5-11-10-13-12-6-16-10/h2-6,14H,1H3/b11-5-
InChIKeyDMLOQJWUFWRSKK-WZUFQYTHSA-N
XLogP2.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol?
The IUPAC name of 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol (CID 5411396) is 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol is COc1c(O)cccc1/C=N\c1nncs1.
What is the InChIKey of 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol?
The InChIKey is DMLOQJWUFWRSKK-WZUFQYTHSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-15-9-7(3-2-4-8(9)14)5-11-10-13-12-6-16-10/h2-6,14H,1H3/b11-5-.
What are the key properties of 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol?
2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol has a molecular weight of 235.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(Z)-1,3,4-thiadiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 5411396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).