N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide

C18H24N4OS2 — CID 17152534

IUPACN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H24N4OS2/c1-3-13(2)24-18-21-20-17(25-18)19-16(23)14-9-11-22(12-10-14)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)
InChIKeyFVSFOWWKAOFWEF-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.28
Rot. Bonds6

About N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide (PubChem CID 17152534) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
PubChem CID17152534
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C18H24N4OS2/c1-3-13(2)24-18-21-20-17(25-18)19-16(23)14-9-11-22(12-10-14)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23)
InChIKeyFVSFOWWKAOFWEF-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152848
1-benzoyl-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018993
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 5181575
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857992
(3R)-N-[5-[(2S)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7483501
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120997
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3220484
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfanylbenzamide
CID 17321811
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151965

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide (CID 17152534) is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide is CCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide?
The InChIKey is FVSFOWWKAOFWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-3-13(2)24-18-21-20-17(25-18)19-16(23)14-9-11-22(12-10-14)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,19,20,23).
What are the key properties of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide?
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).