2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol

C11H11N3O2S — CID 135533155

IUPAC2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nnc(C)s2)c1O
InChIInChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-6,15H,1-2H3/b12-6+
InChIKeySWQZDLVEVRXKDC-WUXMJOGZSA-N
MW249.30 g/mol
LogP2.31
Rot. Bonds3

About 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol

2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol (PubChem CID 135533155) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
PubChem CID135533155
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nnc(C)s2)c1O
InChIInChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-6,15H,1-2H3/b12-6+
InChIKeySWQZDLVEVRXKDC-WUXMJOGZSA-N
XLogP2.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.31
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
3-[(E)-[(2-Hydroxy-3-methoxyphenyl)methylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135476836
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1625344
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-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
(E)-5-[(2-Hydroxy-3-methoxybenzylidene)amino]-1,3,4-thiadiazole-2(3H)-thione
CID 135822089
2-Methoxy-4-(((5-phenyl-1,3,4-thiadiazol-2-yl)imino)methyl)phenol
CID 177256293
2-Methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 771788
2-Methoxy-3-(1,3,4-thiadiazol-2-yliminomethyl)phenol
CID 835980
2-[(5-Aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
CID 937453

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol (CID 135533155) is 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol is COc1cccc(/C=N/c2nnc(C)s2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The InChIKey is SWQZDLVEVRXKDC-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-13-14-11(17-7)12-6-8-4-3-5-9(16-2)10(8)15/h3-6,15H,1-2H3/b12-6+.
What are the key properties of 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol has a molecular weight of 249.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-(5-methyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).