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

C5H6N2OS — CID 3111964

IUPAC1-(2-amino-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(N)n1
InChIInChI=1S/C5H6N2OS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3,(H2,6,7)
InChIKeyXLYLXMPLFPQUDL-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.93
Rot. Bonds1

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

1-(2-amino-1,3-thiazol-4-yl)ethanone (PubChem CID 3111964) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)ethanone
PubChem CID3111964
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(N)n1
InChIInChI=1S/C5H6N2OS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3,(H2,6,7)
InChIKeyXLYLXMPLFPQUDL-UHFFFAOYSA-N
XLogP0.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)ethanone (CID 3111964) is 1-(2-amino-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)ethanone?
The InChIKey is XLYLXMPLFPQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3,(H2,6,7).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)ethanone?
1-(2-amino-1,3-thiazol-4-yl)ethanone has a molecular weight of 142.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 3111964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).