N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide

C13H22N4O2S — CID 65209885

IUPACN-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCOC1CCNCC1
InChIInChI=1S/C13H22N4O2S/c1-2-3-11-12(20-17-16-11)13(18)15-8-9-19-10-4-6-14-7-5-10/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyNMQUHEFUEBLOME-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.99
Rot. Bonds7

About N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide

N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65209885) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65209885
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCOC1CCNCC1
InChIInChI=1S/C13H22N4O2S/c1-2-3-11-12(20-17-16-11)13(18)15-8-9-19-10-4-6-14-7-5-10/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyNMQUHEFUEBLOME-UHFFFAOYSA-N
XLogP0.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-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-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
N-(2-piperidin-4-yloxyethyl)thiadiazole-4-carboxamide
CID 65215902
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide (CID 65209885) is N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCOC1CCNCC1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is NMQUHEFUEBLOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-3-11-12(20-17-16-11)13(18)15-8-9-19-10-4-6-14-7-5-10/h10,14H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide?
N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65209885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).