1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone

C12H12N2OS — CID 56972521

IUPAC1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
SMILESC/N=c1\scc(-c2ccccc2)n1C(C)=O
InChIInChI=1S/C12H12N2OS/c1-9(15)14-11(8-16-12(14)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12-
InChIKeySTZLLPYWWFHXDT-SEYXRHQNSA-N
MW232.31 g/mol
LogP2.41
Rot. Bonds1

About 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone

1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone (PubChem CID 56972521) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
PubChem CID56972521
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
SMILESC/N=c1\scc(-c2ccccc2)n1C(C)=O
InChIInChI=1S/C12H12N2OS/c1-9(15)14-11(8-16-12(14)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12-
InChIKeySTZLLPYWWFHXDT-SEYXRHQNSA-N
XLogP2.41
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone (CID 56972521) is 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone is C/N=c1\scc(-c2ccccc2)n1C(C)=O.
What is the InChIKey of 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone?
The InChIKey is STZLLPYWWFHXDT-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9(15)14-11(8-16-12(14)13-2)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12-.
What are the key properties of 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone?
1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone has a molecular weight of 232.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 56972521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).