1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid

C9H13N3O2S — CID 65268293

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESCc1nsc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyYLBKNWZUTXLZKD-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 65268293) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID65268293
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESCc1nsc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyYLBKNWZUTXLZKD-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]propanoic acid
CID 107304315
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetic acid
CID 107304319
4-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304329
4-Ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304330
4-Propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304331
2-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304447
Ethyl 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate
CID 107305857
Methyl 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate
CID 107305861
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 113943852
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]acetic acid
CID 113943877
1-(3-Cyclohexyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 138051623
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 154785114

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (CID 65268293) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is Cc1nsc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is YLBKNWZUTXLZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65268293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).