1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

C18H27N5O2S2 — CID 20886417

IUPAC1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
SMILESCCCSCCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
InChIInChI=1S/C18H27N5O2S2/c1-3-9-26-10-5-7-19-16(25)14-6-4-8-22(12-14)18-21-23-15(24)11-13(2)20-17(23)27-18/h11,14H,3-10,12H2,1-2H3,(H,19,25)
InChIKeyGZGZCJLMEXKLKJ-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.33
Rot. Bonds8

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide (PubChem CID 20886417) has the molecular formula C18H27N5O2S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
PubChem CID20886417
Molecular FormulaC18H27N5O2S2
Molecular Weight409.58 g/mol
Exact Mass409.16
IUPAC Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
SMILESCCCSCCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
InChIInChI=1S/C18H27N5O2S2/c1-3-9-26-10-5-7-19-16(25)14-6-4-8-22(12-14)18-21-23-15(24)11-13(2)20-17(23)27-18/h11,14H,3-10,12H2,1-2H3,(H,19,25)
InChIKeyGZGZCJLMEXKLKJ-UHFFFAOYSA-N
XLogP2.33
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide 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-(3,5-dimethylpiperidin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893055
N-(2-methoxyethyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 3242901
N-(4-methylcyclohexyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893031
N-(2-methylcyclohexyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893034
N-[3-(2-Ethylpiperidino)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL)-3-piperidinecarboxamide
CID 20893047
N-methyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 6625307
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-3-carboxamide
CID 20893062
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20892957
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-[3-(propylsulfanyl)propyl]piperidine-4-carboxamide
CID 20892977
N-[3-(Cyclohexylsulfanyl)propyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 20892978
N-(Butan-2-YL)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-3-carboxamide
CID 20892999
N-tert-butyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893000

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide (CID 20886417) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide is CCCSCCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1.
What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
The InChIKey is GZGZCJLMEXKLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S2/c1-3-9-26-10-5-7-19-16(25)14-6-4-8-22(12-14)18-21-23-15(24)11-13(2)20-17(23)27-18/h11,14H,3-10,12H2,1-2H3,(H,19,25).
What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide?
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 20886417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).