1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H22N4O2S — CID 65272709

IUPAC1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCC(N3CCCC3C(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-2-12-15-14(21-16-12)17-8-5-10(6-9-17)18-7-3-4-11(18)13(19)20/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyYRINSPIZNHMSSC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.62
Rot. Bonds4

About 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 65272709) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID65272709
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCCc1nsc(N2CCC(N3CCCC3C(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-2-12-15-14(21-16-12)17-8-5-10(6-9-17)18-7-3-4-11(18)13(19)20/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyYRINSPIZNHMSSC-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 107304252
(2R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122051708
(2S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122059671
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]azetidine-2-carboxylic acid
CID 86692764
CID 89755386
CID 89755386
Lithium;hydride;1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]azetidine-2-carboxylic acid
CID 173516821
2-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65267487
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylic acid
CID 65267715
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65268128
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65268294
4-Hydroxy-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65268350
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65270636

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 65272709) is 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CCc1nsc(N2CCC(N3CCCC3C(=O)O)CC2)n1.
What is the InChIKey of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is YRINSPIZNHMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-12-15-14(21-16-12)17-8-5-10(6-9-17)18-7-3-4-11(18)13(19)20/h10-11H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).