2-amino-1-(1,2-thiazol-5-yl)ethanone

C5H6N2OS — CID 82594400

IUPAC2-amino-1-(1,2-thiazol-5-yl)ethanone
SMILESNCC(=O)c1ccns1
InChIInChI=1S/C5H6N2OS/c6-3-4(8)5-1-2-7-9-5/h1-2H,3,6H2
InChIKeyJFWSTJIHUVPVGY-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-1-(1,2-thiazol-5-yl)ethanone

2-amino-1-(1,2-thiazol-5-yl)ethanone (PubChem CID 82594400) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-amino-1-(1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,2-thiazol-5-yl)ethanone
PubChem CID82594400
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-amino-1-(1,2-thiazol-5-yl)ethanone
SMILESNCC(=O)c1ccns1
InChIInChI=1S/C5H6N2OS/c6-3-4(8)5-1-2-7-9-5/h1-2H,3,6H2
InChIKeyJFWSTJIHUVPVGY-UHFFFAOYSA-N
XLogP0.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(1,2-thiazol-5-yl)ethanone (CID 82594400) is 2-amino-1-(1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,2-thiazol-5-yl)ethanone is NCC(=O)c1ccns1.
What is the InChIKey of 2-amino-1-(1,2-thiazol-5-yl)ethanone?
The InChIKey is JFWSTJIHUVPVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-3-4(8)5-1-2-7-9-5/h1-2H,3,6H2.
What are the key properties of 2-amino-1-(1,2-thiazol-5-yl)ethanone?
2-amino-1-(1,2-thiazol-5-yl)ethanone has a molecular weight of 142.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 82594400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).