1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one

C14H21N3O2S — CID 79548585

IUPAC1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1snnc1C(C)C
InChIInChI=1S/C14H21N3O2S/c1-9(2)12-13(20-16-15-12)14(19)17-7-5-4-6-11(17)8-10(3)18/h9,11H,4-8H2,1-3H3
InChIKeyHAWNPHJGRZLSEJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79548585) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79548585
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1snnc1C(C)C
InChIInChI=1S/C14H21N3O2S/c1-9(2)12-13(20-16-15-12)14(19)17-7-5-4-6-11(17)8-10(3)18/h9,11H,4-8H2,1-3H3
InChIKeyHAWNPHJGRZLSEJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 65204638
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
CID 65209876
cycloheptyl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105125018
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 79549025
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one (CID 79548585) is 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1snnc1C(C)C.
What is the InChIKey of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is HAWNPHJGRZLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)12-13(20-16-15-12)14(19)17-7-5-4-6-11(17)8-10(3)18/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 295.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79548585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).