(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C9H13N3O2S — CID 71807185

IUPAC(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3
InChIKeyJVZQMVZEXLLYTF-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.44
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 71807185) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID71807185
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3
InChIKeyJVZQMVZEXLLYTF-UHFFFAOYSA-N
XLogP0.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 71807185) is (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2CCCC(O)C2)n1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is JVZQMVZEXLLYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-10-8(15-11-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.44, 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)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 71807185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).