2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol

C11H10N2O2S — CID 135804365

IUPAC2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nccs2)c1O
InChIInChI=1S/C11H10N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-7,14H,1H3/b13-7+
InChIKeyOUAMFZFGMKFLGT-NTUHNPAUSA-N
MW234.28 g/mol
LogP2.61
Rot. Bonds3

About 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol

2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135804365) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135804365
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESCOc1cccc(/C=N/c2nccs2)c1O
InChIInChI=1S/C11H10N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-7,14H,1H3/b13-7+
InChIKeyOUAMFZFGMKFLGT-NTUHNPAUSA-N
XLogP2.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135804365) is 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol is COc1cccc(/C=N/c2nccs2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is OUAMFZFGMKFLGT-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-9-4-2-3-8(10(9)14)7-13-11-12-5-6-16-11/h2-7,14H,1H3/b13-7+.
What are the key properties of 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol has a molecular weight of 234.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135804365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).