1-(2H-1,3-thiazol-3-yl)ethanone

C5H7NOS — CID 68856940

IUPAC1-(2H-1,3-thiazol-3-yl)ethanone
SMILESCC(=O)N1C=CSC1
InChIInChI=1S/C5H7NOS/c1-5(7)6-2-3-8-4-6/h2-3H,4H2,1H3
InChIKeyODCOOLPSRUHQQV-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.01
Rot. Bonds

About 1-(2H-1,3-thiazol-3-yl)ethanone

1-(2H-1,3-thiazol-3-yl)ethanone (PubChem CID 68856940) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-(2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2H-1,3-thiazol-3-yl)ethanone
PubChem CID68856940
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name1-(2H-1,3-thiazol-3-yl)ethanone
SMILESCC(=O)N1C=CSC1
InChIInChI=1S/C5H7NOS/c1-5(7)6-2-3-8-4-6/h2-3H,4H2,1H3
InChIKeyODCOOLPSRUHQQV-UHFFFAOYSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2H-1,3-thiazol-3-yl)ethanone (CID 68856940) is 1-(2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2H-1,3-thiazol-3-yl)ethanone is CC(=O)N1C=CSC1.
What is the InChIKey of 1-(2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is ODCOOLPSRUHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-5(7)6-2-3-8-4-6/h2-3H,4H2,1H3.
What are the key properties of 1-(2H-1,3-thiazol-3-yl)ethanone?
1-(2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 129.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 68856940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).