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

C12H20N4OS — CID 119265189

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCNCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-3-4-10-15-16-12(18-10)14-11(17)9-5-7-13-8-6-9/h9,13H,2-8H2,1H3,(H,14,16,17)
InChIKeyJGIPKTADLLLDHC-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.82
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 119265189) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID119265189
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCNCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-3-4-10-15-16-12(18-10)14-11(17)9-5-7-13-8-6-9/h9,13H,2-8H2,1H3,(H,14,16,17)
InChIKeyJGIPKTADLLLDHC-UHFFFAOYSA-N
XLogP1.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
(3R)-1-butyl-5-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9399775
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 119265189) is N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCCc1nnc(NC(=O)C2CCNCC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is JGIPKTADLLLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-3-4-10-15-16-12(18-10)14-11(17)9-5-7-13-8-6-9/h9,13H,2-8H2,1H3,(H,14,16,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119265189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).