3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one

C13H22N4OS — CID 63602290

IUPAC3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNCc1cnc(N2CCNC(=O)C2CC)s1
InChIInChI=1S/C13H22N4OS/c1-3-5-14-8-10-9-16-13(19-10)17-7-6-15-12(18)11(17)4-2/h9,11,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyXOHZYYWZBQEVBN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.36
Rot. Bonds6

About 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one

3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 63602290) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID63602290
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNCc1cnc(N2CCNC(=O)C2CC)s1
InChIInChI=1S/C13H22N4OS/c1-3-5-14-8-10-9-16-13(19-10)17-7-6-15-12(18)11(17)4-2/h9,11,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyXOHZYYWZBQEVBN-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
CID 63602619
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
4-[5-chloro-2-(propylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851215
3,3-dimethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66075809
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66377163
4-chloro-2-(2-ethyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687617
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79170468
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (CID 63602290) is 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is CCCNCc1cnc(N2CCNC(=O)C2CC)s1.
What is the InChIKey of 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is XOHZYYWZBQEVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-5-14-8-10-9-16-13(19-10)17-7-6-15-12(18)11(17)4-2/h9,11,14H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 282.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 63602290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).