1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone

C12H12N2OS — CID 151659675

IUPAC1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCC(=O)c1snc(C)c1Nc1ccccc1
InChIInChI=1S/C12H12N2OS/c1-8-11(12(9(2)15)16-14-8)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyQWGQGZRPIWGKJV-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone

1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone (PubChem CID 151659675) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone
PubChem CID151659675
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCC(=O)c1snc(C)c1Nc1ccccc1
InChIInChI=1S/C12H12N2OS/c1-8-11(12(9(2)15)16-14-8)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyQWGQGZRPIWGKJV-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone (CID 151659675) is 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone is CC(=O)c1snc(C)c1Nc1ccccc1.
What is the InChIKey of 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone?
The InChIKey is QWGQGZRPIWGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-11(12(9(2)15)16-14-8)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3.
What are the key properties of 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone?
1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone has a molecular weight of 232.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-3-methyl-1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 151659675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).