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

C10H9N3O2S — CID 835980

IUPAC2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol
SMILESCOc1c(O)cccc1C=Nc1nncs1
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
InChIKeyDMLOQJWUFWRSKK-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.00
Rot. Bonds3

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

2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol (PubChem CID 835980) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol
PubChem CID835980
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol
SMILESCOc1c(O)cccc1C=Nc1nncs1
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
InChIKeyDMLOQJWUFWRSKK-UHFFFAOYSA-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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Related Compounds

2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670
(4E)-4-[[(5-aminotetrazol-1-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one
CID 135513621
(E)-2-(((4H-1,2,4-triazol-4-yl)imino)methyl)-6-methoxyphenol
CID 135578243
2-[(5-Ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-6-methoxyphenol
CID 618757
2-Ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 2737960
2-Methoxy-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)imino]methyl}phenol
CID 135533155
2-ethoxy-6-[(E)-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 135544964
2-Methoxy-4-(1,3,4-thiadiazol-2-yliminomethyl)phenol
CID 366892
2-Hydroxy-3-methoxybenzylidene-4h-1,2,4-triazol-4-amine
CID 771797
(E)-5-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione
CID 135822089
(E)-5-[(3-Ethoxy-2-hydroxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione
CID 139082460
4-[(5-Aminotetrazol-1-yl)iminomethyl]-2-methoxyphenol
CID 662611

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol?
The IUPAC name of 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol (CID 835980) is 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol.
What is the SMILES notation for 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol?
The canonical SMILES for 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol is COc1c(O)cccc1C=Nc1nncs1.
What is the InChIKey of 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol?
The InChIKey is DMLOQJWUFWRSKK-UHFFFAOYSA-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.
What are the key properties of 2-methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol?
2-methoxy-3-(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-(1,3,4-thiadiazol-2-yliminomethyl)phenol is sourced from PubChem (CID 835980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).