4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid

C9H14N4O2S — CID 90746777

IUPAC4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nncs2)CC1
InChIInChI=1S/C9H14N4O2S/c14-9(15)13-3-1-7(2-4-13)5-10-8-12-11-6-16-8/h6-7H,1-5H2,(H,10,12)(H,14,15)
InChIKeyOIRIJUJRSRIVNB-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.34
Rot. Bonds3

About 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid

4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 90746777) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
PubChem CID90746777
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2nncs2)CC1
InChIInChI=1S/C9H14N4O2S/c14-9(15)13-3-1-7(2-4-13)5-10-8-12-11-6-16-8/h6-7H,1-5H2,(H,10,12)(H,14,15)
InChIKeyOIRIJUJRSRIVNB-UHFFFAOYSA-N
XLogP1.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid (CID 90746777) is 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2nncs2)CC1.
What is the InChIKey of 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is OIRIJUJRSRIVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-9(15)13-3-1-7(2-4-13)5-10-8-12-11-6-16-8/h6-7H,1-5H2,(H,10,12)(H,14,15).
What are the key properties of 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid?
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90746777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).