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

C5H6N2OS — CID 45121815

IUPAC2-amino-1-(1,3-thiazol-2-yl)ethanone
SMILESNCC(=O)c1nccs1
InChIInChI=1S/C5H6N2OS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3,6H2
InChIKeyUTRBRLNTLFCYCH-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.28
Rot. Bonds2

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

2-amino-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 45121815) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-amino-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,3-thiazol-2-yl)ethanone
PubChem CID45121815
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-amino-1-(1,3-thiazol-2-yl)ethanone
SMILESNCC(=O)c1nccs1
InChIInChI=1S/C5H6N2OS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3,6H2
InChIKeyUTRBRLNTLFCYCH-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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Related Compounds

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1,3-Thiazole-2-carboxamide
CID 17750911
2-Bromo-1-(1,3-thiazol-2-yl)ethan-1-one
CID 2795212
acs.jmedchem.1c00409_ST.679
CID 44415173
1-Thiazol-2-yl-butan-1-one
CID 22291405
1-Propanone, 3-(dimethylamino)-1-(2-thiazolyl)-, hydrochloride
CID 214599
2-(1,3-Thiazol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 44120524
2-Amino-1-(1,3-thiazol-2-yl)ethan-1-one hydrochloride
CID 69588562
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 23644661
(2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butan-1-one
CID 23644717

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(1,3-thiazol-2-yl)ethanone (CID 45121815) is 2-amino-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,3-thiazol-2-yl)ethanone is NCC(=O)c1nccs1.
What is the InChIKey of 2-amino-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is UTRBRLNTLFCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3,6H2.
What are the key properties of 2-amino-1-(1,3-thiazol-2-yl)ethanone?
2-amino-1-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 45121815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).