ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone

C11H16N2OS — CID 143623539

IUPACethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESC=C.CC(=O)c1csc(C2CCCN2)n1
InChIInChI=1S/C9H12N2OS.C2H4/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7;1-2/h5,7,10H,2-4H2,1H3;1-2H2
InChIKeyGSPFMRITERWEBA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.57
Rot. Bonds2

About ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone

ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 143623539) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Nameethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID143623539
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Nameethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESC=C.CC(=O)c1csc(C2CCCN2)n1
InChIInChI=1S/C9H12N2OS.C2H4/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7;1-2/h5,7,10H,2-4H2,1H3;1-2H2
InChIKeyGSPFMRITERWEBA-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Aminomethyl)-1,3-thiazol-4-yl]ethan-1-one dihydrochloride
CID 167736669
1-[2-(Aminomethyl)-1,3-thiazol-4-yl]ethan-1-one
CID 67967921
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde
CID 175235481
1-[2-(1-Aminoethyl)-1,3-thiazol-4-yl]-4,4,4-trifluorobutan-1-one
CID 116585872
4-Acetyl-2-(acetylaminomethyl)thiazole
CID 10012967
2-(1-Methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
CID 21365763
1-[2-(1-Methylpiperazin-2-yl)-1,3-thiazol-4-yl]ethanone
CID 58137805
1-(2-Piperazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 58137929
1-[2-(Methylaminomethyl)-1,3-thiazol-4-yl]ethanone
CID 59806935
1-(2-Piperidin-4-yl-1,3-thiazol-4-yl)ethanone
CID 59863035
1-[2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
CID 64543005
1-(2-Piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
CID 67436260

Frequently Asked Questions

What is the IUPAC name of ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 143623539) is ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone is C=C.CC(=O)c1csc(C2CCCN2)n1.
What is the InChIKey of ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is GSPFMRITERWEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.C2H4/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7;1-2/h5,7,10H,2-4H2,1H3;1-2H2.
What are the key properties of ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone?
ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 224.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 143623539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).