[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C11H17N3O2S — CID 54878566

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-13-12-8)11(16)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3
InChIKeyLIQMTCUUXZZNDO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.22
Rot. Bonds3

About [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 54878566) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID54878566
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-13-12-8)11(16)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3
InChIKeyLIQMTCUUXZZNDO-UHFFFAOYSA-N
XLogP1.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 54878566) is [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is LIQMTCUUXZZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(17-13-12-8)11(16)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 54878566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).