1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

C11H13N3O5S — CID 115918213

IUPAC1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1nnsc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H13N3O5S/c1-5-8(20-13-12-5)9(15)14-3-2-6(10(16)17)7(4-14)11(18)19/h6-7H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyCMPXFTMXDWZTRO-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.09
Rot. Bonds3

About 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918213) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918213
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1nnsc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C11H13N3O5S/c1-5-8(20-13-12-5)9(15)14-3-2-6(10(16)17)7(4-14)11(18)19/h6-7H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyCMPXFTMXDWZTRO-UHFFFAOYSA-N
XLogP0.09
TPSA120.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
(3R,4S)-1-(4-methylthiadiazole-5-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 138039159
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918213) is 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is Cc1nnsc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is CMPXFTMXDWZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5-8(20-13-12-5)9(15)14-3-2-6(10(16)17)7(4-14)11(18)19/h6-7H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).