(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone

C8H11N3O2S — CID 43522686

IUPAC(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC(O)C1
InChIInChI=1S/C8H11N3O2S/c12-6-2-1-3-11(5-6)8(13)7-4-9-10-14-7/h4,6,12H,1-3,5H2
InChIKeyATVCULHZGUFFPY-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.14
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone

(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone (PubChem CID 43522686) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone
PubChem CID43522686
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC(O)C1
InChIInChI=1S/C8H11N3O2S/c12-6-2-1-3-11(5-6)8(13)7-4-9-10-14-7/h4,6,12H,1-3,5H2
InChIKeyATVCULHZGUFFPY-UHFFFAOYSA-N
XLogP0.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone (CID 43522686) is (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is ATVCULHZGUFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-6-2-1-3-11(5-6)8(13)7-4-9-10-14-7/h4,6,12H,1-3,5H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 213.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 43522686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).