1-(2-acetyl-1,3-thiazol-4-yl)ethanone

C7H7NO2S — CID 67115427

IUPAC1-(2-acetyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C(C)=O)n1
InChIInChI=1S/C7H7NO2S/c1-4(9)6-3-11-7(8-6)5(2)10/h3H,1-2H3
InChIKeyJPDRDPXRZSKWMF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.55
Rot. Bonds2

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

1-(2-acetyl-1,3-thiazol-4-yl)ethanone (PubChem CID 67115427) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(2-acetyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-1,3-thiazol-4-yl)ethanone
PubChem CID67115427
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name1-(2-acetyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C(C)=O)n1
InChIInChI=1S/C7H7NO2S/c1-4(9)6-3-11-7(8-6)5(2)10/h3H,1-2H3
InChIKeyJPDRDPXRZSKWMF-UHFFFAOYSA-N
XLogP1.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-acetyl-1,3-thiazol-4-yl)ethanone (CID 67115427) is 1-(2-acetyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(C(C)=O)n1.
What is the InChIKey of 1-(2-acetyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JPDRDPXRZSKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-4(9)6-3-11-7(8-6)5(2)10/h3H,1-2H3.
What are the key properties of 1-(2-acetyl-1,3-thiazol-4-yl)ethanone?
1-(2-acetyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 169.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 67115427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).