2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol

C10H6Cl2N2OS — CID 690752

IUPAC2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C=Nc1nccs1
InChIInChI=1S/C10H6Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H
InChIKeyRRAFJUHCKWCFLN-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.91
Rot. Bonds2

About 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol

2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol (PubChem CID 690752) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol
PubChem CID690752
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1C=Nc1nccs1
InChIInChI=1S/C10H6Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H
InChIKeyRRAFJUHCKWCFLN-UHFFFAOYSA-N
XLogP3.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 950924
2,4-Dichloro-6-[(E)-thiazol-2-yliminomethyl]-phenol
CID 135512343
4-Chloro-2-[(1,3-thiazol-2-ylimino)methyl]phenol
CID 135449186
2-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)phenol
CID 135400508
4-Chloro-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 779705
2-fluoro-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 177549489
Phenol, o-(N-2-thiazolylformimidoyl)-
CID 135509555
Salicylideneaminothiazole
CID 265478
2-Chloro-6-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 112607028
2-chloro-4-[(Z)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 136822378
2,4-Dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168616866
2-[[(4-Amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
CID 168625560

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol?
The IUPAC name of 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol (CID 690752) is 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol is Oc1c(Cl)cc(Cl)cc1C=Nc1nccs1.
What is the InChIKey of 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol?
The InChIKey is RRAFJUHCKWCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-7-3-6(9(15)8(12)4-7)5-14-10-13-1-2-16-10/h1-5,15H.
What are the key properties of 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol?
2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol has a molecular weight of 273.14 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1,3-thiazol-2-yliminomethyl)phenol is sourced from PubChem (CID 690752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).