1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid

C10H11N3O5S — CID 112567973

IUPAC1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csnn2)CC1C(=O)O
InChIInChI=1S/C10H11N3O5S/c14-8(7-4-19-12-11-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeySMDKJPUDYTUDNG-UHFFFAOYSA-N
MW285.28 g/mol
LogP-0.21
Rot. Bonds3

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

1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112567973) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID112567973
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csnn2)CC1C(=O)O
InChIInChI=1S/C10H11N3O5S/c14-8(7-4-19-12-11-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeySMDKJPUDYTUDNG-UHFFFAOYSA-N
XLogP-0.21
TPSA120.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(thiadiazol-4-yl)methanone
CID 131685811
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
thiadiazol-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432669

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (CID 112567973) is 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)c2csnn2)CC1C(=O)O.
What is the InChIKey of 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is SMDKJPUDYTUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-8(7-4-19-12-11-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h4-6H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 285.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112567973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).