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

C10H16N4O2S — CID 82058188

IUPAC1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESNc1nnc(CCN2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C10H16N4O2S/c11-10-13-12-8(17-10)3-5-14-4-1-2-7(6-14)9(15)16/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyWQPKYLCWRAVRGW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.46
Rot. Bonds4

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

1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82058188) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID82058188
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESNc1nnc(CCN2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C10H16N4O2S/c11-10-13-12-8(17-10)3-5-14-4-1-2-7(6-14)9(15)16/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyWQPKYLCWRAVRGW-UHFFFAOYSA-N
XLogP0.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 82058213
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 82058210
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3S)-1-(2-hydroxyethyl)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]piperidine-3-carboxamide
CID 124756513
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid (CID 82058188) is 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid is Nc1nnc(CCN2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is WQPKYLCWRAVRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c11-10-13-12-8(17-10)3-5-14-4-1-2-7(6-14)9(15)16/h7H,1-6H2,(H2,11,13)(H,15,16).
What are the key properties of 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82058188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).