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

C10H7ClN2OS — CID 135449186

IUPAC4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1nccs1
InChIInChI=1S/C10H7ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+
InChIKeyWGZVLJUHCOVVHI-AWNIVKPZSA-N
MW238.70 g/mol
LogP3.25
Rot. Bonds2

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

4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135449186) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135449186
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1nccs1
InChIInChI=1S/C10H7ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+
InChIKeyWGZVLJUHCOVVHI-AWNIVKPZSA-N
XLogP3.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 53.25
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-[(2-thiazolylamino)methylidene]-1-cyclohexa-2,4-dienone
CID 690752
4-Chloro-2-[(1,3-thiazol-2-ylamino)methyl]phenol
CID 2190149
2,4-Dichloro-6-[(E)-thiazol-2-yliminomethyl]-phenol
CID 135512343
4-((Thiazol-2-ylimino)methyl)benzene-1,3-diol
CID 394207
Phenol, 4-[(2-thiazolylimino)methyl]-
CID 135477882
4-[(E)-thiazol-2-yliminomethyl]benzene-1,3-diol
CID 135499694
2-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)phenol
CID 135400508
N-[(4E)-6-chloro-2-phenyl-4H-chromen-4-ylidene]-1,3-thiazol-2-amine
CID 24167045
4-Chloro-2-(1,3-thiazol-2-yliminomethyl)phenol
CID 779705
4-(1,3-Thiazol-2-yliminomethyl)phenol
CID 1205614
Salicylaldehyde thiazolyl hydrazone
CID 2789386
4-Chloro-5-fluoro-2-(1,3-thiazol-2-ylmethyl)phenol
CID 108129568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135449186) is 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1nccs1.
What is the InChIKey of 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is WGZVLJUHCOVVHI-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-6,14H/b13-6+.
What are the key properties of 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol has a molecular weight of 238.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135449186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).