4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid

C10H13N3O3S — CID 55176600

IUPAC4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H13N3O3S/c1-10(9(15)16)2-4-13(5-3-10)8(14)7-6-11-12-17-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeyJXBJGJQNLORTMQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 55176600) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID55176600
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H13N3O3S/c1-10(9(15)16)2-4-13(5-3-10)8(14)7-6-11-12-17-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeyJXBJGJQNLORTMQ-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid (CID 55176600) is 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is JXBJGJQNLORTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-10(9(15)16)2-4-13(5-3-10)8(14)7-6-11-12-17-7/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-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 4-methyl-1-(thiadiazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55176600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).