N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C15H22N6O3S — CID 45250995

IUPACN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCOCCc1nnc(NC(=O)N2CCCCC2c2nc(C)no2)s1
InChIInChI=1S/C15H22N6O3S/c1-3-23-9-7-12-18-19-14(25-12)17-15(22)21-8-5-4-6-11(21)13-16-10(2)20-24-13/h11H,3-9H2,1-2H3,(H,17,19,22)
InChIKeyZMWHPWCECUQRFB-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.57
Rot. Bonds6

About N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45250995) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45250995
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCOCCc1nnc(NC(=O)N2CCCCC2c2nc(C)no2)s1
InChIInChI=1S/C15H22N6O3S/c1-3-23-9-7-12-18-19-14(25-12)17-15(22)21-8-5-4-6-11(21)13-16-10(2)20-24-13/h11H,3-9H2,1-2H3,(H,17,19,22)
InChIKeyZMWHPWCECUQRFB-UHFFFAOYSA-N
XLogP2.57
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-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-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 91844203
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86789916
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
(2R)-N-(4-imidazol-1-ylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125162807
(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 125435815
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410
(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51984767
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90564253

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45250995) is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCOCCc1nnc(NC(=O)N2CCCCC2c2nc(C)no2)s1.
What is the InChIKey of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZMWHPWCECUQRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-3-23-9-7-12-18-19-14(25-12)17-15(22)21-8-5-4-6-11(21)13-16-10(2)20-24-13/h11H,3-9H2,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45250995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).