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

C12H20N4OS — CID 63607028

IUPAC3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNCc1cnc(N2CCNC(=O)C2C)s1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-7-10-8-15-12(18-10)16-6-5-14-11(17)9(16)2/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyCALAFEXHABDESP-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.97
Rot. Bonds5

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

3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 63607028) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID63607028
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
SMILESCCCNCc1cnc(N2CCNC(=O)C2C)s1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-7-10-8-15-12(18-10)16-6-5-14-11(17)9(16)2/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyCALAFEXHABDESP-UHFFFAOYSA-N
XLogP0.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63608220
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
CID 63602619
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66377163
3,3-dimethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazine-2,6-dione
CID 66075809
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazine-2,6-dione
CID 66075448
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
CID 113367834
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-2-one
CID 104844062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one (CID 63607028) is 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is CCCNCc1cnc(N2CCNC(=O)C2C)s1.
What is the InChIKey of 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is CALAFEXHABDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-4-13-7-10-8-15-12(18-10)16-6-5-14-11(17)9(16)2/h8-9,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one?
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 268.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 63607028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).