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

C10H8N2OS — CID 135509555

IUPAC2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N\c1nccs1
InChIInChI=1S/C10H8N2OS/c13-9-4-2-1-3-8(9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7-
InChIKeyJLXKDXBSISPXJW-GHXNOFRVSA-N
MW204.25 g/mol
LogP2.60
Rot. Bonds2

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

2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135509555) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135509555
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccccc1/C=N\c1nccs1
InChIInChI=1S/C10H8N2OS/c13-9-4-2-1-3-8(9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7-
InChIKeyJLXKDXBSISPXJW-GHXNOFRVSA-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 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol (CID 135509555) is 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol is Oc1ccccc1/C=N\c1nccs1.
What is the InChIKey of 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is JLXKDXBSISPXJW-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-4-2-1-3-8(9)7-12-10-11-5-6-14-10/h1-7,13H/b12-7-.
What are the key properties of 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol?
2-[(Z)-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 2-[(Z)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135509555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).