2-(2H-1,3-thiazol-3-yliminomethyl)phenol

C10H10N2OS — CID 141040351

IUPAC2-(2H-1,3-thiazol-3-yliminomethyl)phenol
SMILESOc1ccccc1C=NN1C=CSC1
InChIInChI=1S/C10H10N2OS/c13-10-4-2-1-3-9(10)7-11-12-5-6-14-8-12/h1-7,13H,8H2
InChIKeyQLLVXDLQQWRWAM-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.20
Rot. Bonds2

About 2-(2H-1,3-thiazol-3-yliminomethyl)phenol

2-(2H-1,3-thiazol-3-yliminomethyl)phenol (PubChem CID 141040351) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yliminomethyl)phenol
PubChem CID141040351
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(2H-1,3-thiazol-3-yliminomethyl)phenol
SMILESOc1ccccc1C=NN1C=CSC1
InChIInChI=1S/C10H10N2OS/c13-10-4-2-1-3-9(10)7-11-12-5-6-14-8-12/h1-7,13H,8H2
InChIKeyQLLVXDLQQWRWAM-UHFFFAOYSA-N
XLogP2.20
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
CID 135776448
2-(carbazol-9-yliminomethyl)phenol
CID 691316
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
zinc 2-(methyliminomethyl)phenol
CID 135422153
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
ethane;2-(methyliminomethyl)phenol
CID 136650397
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
CID 155704691
CID 155704691
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yliminomethyl)phenol?
The IUPAC name of 2-(2H-1,3-thiazol-3-yliminomethyl)phenol (CID 141040351) is 2-(2H-1,3-thiazol-3-yliminomethyl)phenol.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yliminomethyl)phenol?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yliminomethyl)phenol is Oc1ccccc1C=NN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yliminomethyl)phenol?
The InChIKey is QLLVXDLQQWRWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-10-4-2-1-3-9(10)7-11-12-5-6-14-8-12/h1-7,13H,8H2.
What are the key properties of 2-(2H-1,3-thiazol-3-yliminomethyl)phenol?
2-(2H-1,3-thiazol-3-yliminomethyl)phenol has a molecular weight of 206.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yliminomethyl)phenol is sourced from PubChem (CID 141040351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).