2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone

C9H11N3OS — CID 175495064

IUPAC2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone
SMILESO=C=Cc1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H11N3OS/c13-7-4-8-10-9(11-14-8)12-5-2-1-3-6-12/h4H,1-3,5-6H2
InChIKeyNQINOBSWZONXNE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.37
Rot. Bonds2

About 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone

2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone (PubChem CID 175495064) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone.

Molecular Properties

Compound Name2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone
PubChem CID175495064
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone
SMILESO=C=Cc1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H11N3OS/c13-7-4-8-10-9(11-14-8)12-5-2-1-3-6-12/h4H,1-3,5-6H2
InChIKeyNQINOBSWZONXNE-UHFFFAOYSA-N
XLogP1.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761027
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
3-(azepan-1-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267644
N-ethyl-3-piperidin-1-yl-1,2,4-thiadiazol-5-amine
CID 65269203
3-(azetidin-1-yl)-5-tert-butyl-1,2,4-thiadiazole
CID 169036029
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116808104
5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280784
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
1-(2-prop-2-ynyltetrazol-5-yl)piperidine
CID 55220204
2-methyl-5-piperidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 83878940
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone?
The IUPAC name of 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone (CID 175495064) is 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone.
What is the SMILES notation for 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone?
The canonical SMILES for 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone is O=C=Cc1nc(N2CCCCC2)ns1.
What is the InChIKey of 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone?
The InChIKey is NQINOBSWZONXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-7-4-8-10-9(11-14-8)12-5-2-1-3-6-12/h4H,1-3,5-6H2.
What are the key properties of 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone?
2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone has a molecular weight of 209.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethenone is sourced from PubChem (CID 175495064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).