1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol

C12H12N2OS — CID 142882532

IUPAC1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol
SMILESC=C(O)Nc1cc(C)ccc1-c1nccs1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-10(12-13-5-6-16-12)11(7-8)14-9(2)15/h3-7,14-15H,2H2,1H3
InChIKeyVCWUJDCNQKYIEM-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol

1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol (PubChem CID 142882532) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol.

Molecular Properties

Compound Name1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol
PubChem CID142882532
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol
SMILESC=C(O)Nc1cc(C)ccc1-c1nccs1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-10(12-13-5-6-16-12)11(7-8)14-9(2)15/h3-7,14-15H,2H2,1H3
InChIKeyVCWUJDCNQKYIEM-UHFFFAOYSA-N
XLogP3.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol?
The IUPAC name of 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol (CID 142882532) is 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol.
What is the SMILES notation for 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol?
The canonical SMILES for 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol is C=C(O)Nc1cc(C)ccc1-c1nccs1.
What is the InChIKey of 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol?
The InChIKey is VCWUJDCNQKYIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-3-4-10(12-13-5-6-16-12)11(7-8)14-9(2)15/h3-7,14-15H,2H2,1H3.
What are the key properties of 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol?
1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol has a molecular weight of 232.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol is sourced from PubChem (CID 142882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).