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

C10H8N2OS — CID 135400508

IUPAC2-[(E)-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-KPKJPENVSA-N
MW204.25 g/mol
LogP2.60
Rot. Bonds2

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

2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (PubChem CID 135400508) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-1,3-thiazol-2-yliminomethyl]phenol
PubChem CID135400508
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-[(E)-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-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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Related Compounds

Alpha-(2-thiazolylamino)-O-cresol
CID 853785
Thiourea, N-(2-(2-hydroxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001170
2,4-Dichloro-6-[(2-thiazolylamino)methylidene]-1-cyclohexa-2,4-dienone
CID 690752
1-(Thiazol-2-yliminomethyl)-naphthalen-2-ol
CID 135443142
1-[(2-Thiazolylimino)methyl]-2-naphthalenol
CID 673424
2-(1,3-Thiazol-2-yl)phenol
CID 135616172
2,4-Dichloro-6-[(E)-thiazol-2-yliminomethyl]-phenol
CID 135512343
6-Methoxy-alpha-(2-thiazolylimino)-O-cresol
CID 135804365
4-((Thiazol-2-ylimino)methyl)benzene-1,3-diol
CID 394207
(4-Methoxy-benzylidene)-thiazol-2-yl-amine
CID 9579382
Thiourea, N-[2-(4-hydroxyphenyl)ethyl]-N'-2-thiazolyl-
CID 3003036
Phenol, 4-[(2-thiazolylimino)methyl]-
CID 135477882

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The IUPAC name of 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol (CID 135400508) is 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol.
What is the SMILES notation for 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The canonical SMILES for 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is Oc1ccccc1/C=N/c1nccs1.
What is the InChIKey of 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
The InChIKey is JLXKDXBSISPXJW-KPKJPENVSA-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-[(E)-1,3-thiazol-2-yliminomethyl]phenol?
2-[(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 2-[(E)-1,3-thiazol-2-yliminomethyl]phenol is sourced from PubChem (CID 135400508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).