3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid

C10H13N3O3S — CID 55166836

IUPAC3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cnns2)C1
InChIInChI=1S/C10H13N3O3S/c1-10(9(15)16)3-2-4-13(6-10)8(14)7-5-11-12-17-7/h5H,2-4,6H2,1H3,(H,15,16)
InChIKeyQISDUQDAMBJZQG-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.87
Rot. Bonds2

About 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 55166836) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID55166836
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cnns2)C1
InChIInChI=1S/C10H13N3O3S/c1-10(9(15)16)3-2-4-13(6-10)8(14)7-5-11-12-17-7/h5H,2-4,6H2,1H3,(H,15,16)
InChIKeyQISDUQDAMBJZQG-UHFFFAOYSA-N
XLogP0.87
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 55176600
3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133849
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 79803046
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 154841847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 55166836) is 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2cnns2)C1.
What is the InChIKey of 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QISDUQDAMBJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-10(9(15)16)3-2-4-13(6-10)8(14)7-5-11-12-17-7/h5H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55166836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).