2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide

C18H28N6O2S — CID 20893248

IUPAC2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCCN3CCCC3)sc2n1
InChIInChI=1S/C18H28N6O2S/c1-3-7-14-12-16(26)24-17(20-14)27-18(21-24)22(2)13-15(25)19-8-6-11-23-9-4-5-10-23/h12H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyFXDUPMNZVQPMPL-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.14
Rot. Bonds9

About 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 20893248) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID20893248
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC Name2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCCN3CCCC3)sc2n1
InChIInChI=1S/C18H28N6O2S/c1-3-7-14-12-16(26)24-17(20-14)27-18(21-24)22(2)13-15(25)19-8-6-11-23-9-4-5-10-23/h12H,3-11,13H2,1-2H3,(H,19,25)
InChIKeyFXDUPMNZVQPMPL-UHFFFAOYSA-N
XLogP1.14
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide 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

N-[3-(azepan-1-yl)propyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893247
N-(3-methylbutyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893212
N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893252
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339043
2-[[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 50772123
N-(3-fluorophenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893194
N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893204
2-[methyl(2-methylpropyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276782
2-[[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 95057072
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53195679
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893390
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893392

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 20893248) is 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NCCCN3CCCC3)sc2n1.
What is the InChIKey of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is FXDUPMNZVQPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-3-7-14-12-16(26)24-17(20-14)27-18(21-24)22(2)13-15(25)19-8-6-11-23-9-4-5-10-23/h12H,3-11,13H2,1-2H3,(H,19,25).
What are the key properties of 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 392.53 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 20893248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).