1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one

C10H15N3OS — CID 65272111

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCC(C)c1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C10H15N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyKIZBJBVTIAWFQD-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one (PubChem CID 65272111) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
PubChem CID65272111
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
SMILESCC(C)c1nsc(N2CCC(=O)CC2)n1
InChIInChI=1S/C10H15N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyKIZBJBVTIAWFQD-UHFFFAOYSA-N
XLogP1.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Methylpiperazin-1-yl)-[1,2,4]thiadiazol-3-yl]propan-2-one
CID 155818948
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-one
CID 107304540
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanone
CID 113943896
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-[5-(Azepan-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 89752806
3-Ethyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 90745409
1-[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 125501072
5-Piperidin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
CID 130161907
3-Methyl-1-methylimino-1-(5-methyl-1,2,4-thiadiazol-3-yl)butan-2-one
CID 132092353
1-(3-Piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanone
CID 166760968

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one (CID 65272111) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one is CC(C)c1nsc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
The InChIKey is KIZBJBVTIAWFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one has a molecular weight of 225.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one is sourced from PubChem (CID 65272111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).