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

C5H5NOS — CID 3348031

IUPAC1-(1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1cscn1
InChIInChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChIKeySUCLFBXGJZQZEH-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.35
Rot. Bonds1

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

1-(1,3-thiazol-4-yl)ethanone (PubChem CID 3348031) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-thiazol-4-yl)ethanone
PubChem CID3348031
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name1-(1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1cscn1
InChIInChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChIKeySUCLFBXGJZQZEH-UHFFFAOYSA-N
XLogP1.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1,3-thiazol-4-yl)ethanone (CID 3348031) is 1-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1,3-thiazol-4-yl)ethanone is CC(=O)c1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-yl)ethanone?
The InChIKey is SUCLFBXGJZQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3.
What are the key properties of 1-(1,3-thiazol-4-yl)ethanone?
1-(1,3-thiazol-4-yl)ethanone has a molecular weight of 127.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 3348031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).