N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide

C13H22N4OS — CID 119265861

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)C2CCCCN2)s1
InChIInChI=1S/C13H22N4OS/c1-2-3-4-8-11-16-17-13(19-11)15-12(18)10-7-5-6-9-14-10/h10,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyCHJPOXBHMQHKPL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.35
Rot. Bonds6

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide (PubChem CID 119265861) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
PubChem CID119265861
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)C2CCCCN2)s1
InChIInChI=1S/C13H22N4OS/c1-2-3-4-8-11-16-17-13(19-11)15-12(18)10-7-5-6-9-14-10/h10,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyCHJPOXBHMQHKPL-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
1-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-thiolan-3-yl]urea
CID 30852188
N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
CID 114387673
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 111430455

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide (CID 119265861) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide is CCCCCc1nnc(NC(=O)C2CCCCN2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is CHJPOXBHMQHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-3-4-8-11-16-17-13(19-11)15-12(18)10-7-5-6-9-14-10/h10,14H,2-9H2,1H3,(H,15,17,18).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 119265861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).