N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide

C13H22N4OS — CID 106629440

IUPACN,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)CC1CCCNC1
InChIInChI=1S/C13H22N4OS/c1-3-11-12(19-16-15-11)13(18)17(4-2)9-10-6-5-7-14-8-10/h10,14H,3-9H2,1-2H3
InChIKeyDPHIMCLUKXFBLZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.56
Rot. Bonds5

About N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide

N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 106629440) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID106629440
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)CC1CCCNC1
InChIInChI=1S/C13H22N4OS/c1-3-11-12(19-16-15-11)13(18)17(4-2)9-10-6-5-7-14-8-10/h10,14H,3-9H2,1-2H3
InChIKeyDPHIMCLUKXFBLZ-UHFFFAOYSA-N
XLogP1.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-piperidin-3-yl-4-propylthiadiazole-5-carboxamide
CID 65210392
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031326
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638595
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
N-ethyl-2-hydroxy-6-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 106629345

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide (CID 106629440) is N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(CC)CC1CCCNC1.
What is the InChIKey of N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is DPHIMCLUKXFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-11-12(19-16-15-11)13(18)17(4-2)9-10-6-5-7-14-8-10/h10,14H,3-9H2,1-2H3.
What are the key properties of N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide?
N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(piperidin-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 106629440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).