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

C10H8N2OS — CID 135477882

IUPAC4-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(/C=N/c2nccs2)cc1
InChIInChI=1S/C10H8N2OS/c13-9-3-1-8(2-4-9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7+
InChIKeyLEXABYIVSICYNZ-KPKJPENVSA-N
MW204.25 g/mol
LogP2.60
Rot. Bonds2

About 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol

4-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135477882) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135477882
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name4-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(/C=N/c2nccs2)cc1
InChIInChI=1S/C10H8N2OS/c13-9-3-1-8(2-4-9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7+
InChIKeyLEXABYIVSICYNZ-KPKJPENVSA-N
XLogP2.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135477882) is 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol is Oc1ccc(/C=N/c2nccs2)cc1.
What is the InChIKey of 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is LEXABYIVSICYNZ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-3-1-8(2-4-9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7+.
What are the key properties of 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
4-[(E)-1,3-thiazol-2-yliminomethyl]phenol has a molecular weight of 204.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135477882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).