2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol

C11H10N2OS — CID 135799788

IUPAC2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
SMILESCc1cc(C=Nc2nccs2)ccc1O
InChIInChI=1S/C11H10N2OS/c1-8-6-9(2-3-10(8)14)7-13-11-12-4-5-15-11/h2-7,14H,1H3
InChIKeyYRSZRCQCBXDANN-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.91
Rot. Bonds2

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

2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol (PubChem CID 135799788) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
PubChem CID135799788
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol
SMILESCc1cc(C=Nc2nccs2)ccc1O
InChIInChI=1S/C11H10N2OS/c1-8-6-9(2-3-10(8)14)7-13-11-12-4-5-15-11/h2-7,14H,1H3
InChIKeyYRSZRCQCBXDANN-UHFFFAOYSA-N
XLogP2.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol?
The IUPAC name of 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol (CID 135799788) is 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol.
What is the SMILES notation for 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol?
The canonical SMILES for 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol is Cc1cc(C=Nc2nccs2)ccc1O.
What is the InChIKey of 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol?
The InChIKey is YRSZRCQCBXDANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-6-9(2-3-10(8)14)7-13-11-12-4-5-15-11/h2-7,14H,1H3.
What are the key properties of 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol?
2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol has a molecular weight of 218.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3-thiazol-2-yliminomethyl)phenol is sourced from PubChem (CID 135799788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).