(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H13N3O2S — CID 43393417

IUPAC(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-7(13)3-5-12/h7,13H,2-5H2,1H3
InChIKeyLNQVTZWMWCHFQE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.44
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 43393417) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID43393417
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-7(13)3-5-12/h7,13H,2-5H2,1H3
InChIKeyLNQVTZWMWCHFQE-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 (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 43393417) is (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is LNQVTZWMWCHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-7(13)3-5-12/h7,13H,2-5H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-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 (4-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 43393417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).