3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one

C10H13N3O2S — CID 114499698

IUPAC3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCc1nnsc1C(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H13N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6H,3-5H2,1-2H3
InChIKeyISUNBWWFEWTFJH-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.90
Rot. Bonds1

About 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one

3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one (PubChem CID 114499698) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one
PubChem CID114499698
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCc1nnsc1C(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C10H13N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6H,3-5H2,1-2H3
InChIKeyISUNBWWFEWTFJH-UHFFFAOYSA-N
XLogP0.90
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3825192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one (CID 114499698) is 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one is Cc1nnsc1C(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one?
The InChIKey is ISUNBWWFEWTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-5-13(4-3-8(6)14)10(15)9-7(2)11-12-16-9/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one?
3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one has a molecular weight of 239.30 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 114499698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).