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

C11H15N3O2S — CID 65204766

IUPAC1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCC(C)c1nnsc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2S/c1-7(2)9-10(17-13-12-9)11(16)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyNJUMKXLTSULAHQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.47
Rot. Bonds2

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

1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one (PubChem CID 65204766) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
PubChem CID65204766
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCC(C)c1nnsc1C(=O)N1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2S/c1-7(2)9-10(17-13-12-9)11(16)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3
InChIKeyNJUMKXLTSULAHQ-UHFFFAOYSA-N
XLogP1.47
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one (CID 65204766) is 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one is CC(C)c1nnsc1C(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one?
The InChIKey is NJUMKXLTSULAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)9-10(17-13-12-9)11(16)14-5-3-8(15)4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one?
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one has a molecular weight of 253.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 65204766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).