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

C8H11N3O2S — CID 118294998

IUPAC4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncns2)CC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)11-3-1-6(2-4-11)7-9-5-10-14-7/h5-6H,1-4H2,(H,12,13)
InChIKeyOTMJWWOHLJETFE-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.40
Rot. Bonds1

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

4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid (PubChem CID 118294998) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid
PubChem CID118294998
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncns2)CC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)11-3-1-6(2-4-11)7-9-5-10-14-7/h5-6H,1-4H2,(H,12,13)
InChIKeyOTMJWWOHLJETFE-UHFFFAOYSA-N
XLogP1.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Methylpiperidin-4-yl)-1,2,4-thiadiazole
CID 118303254
Tert-butyl 3-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 132081853
2-[4-(1,2,4-Thiadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144779
Tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 140766019

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid (CID 118294998) is 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncns2)CC1.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is OTMJWWOHLJETFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)11-3-1-6(2-4-11)7-9-5-10-14-7/h5-6H,1-4H2,(H,12,13).
What are the key properties of 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid?
4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 118294998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).