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

C11H17N3OS — CID 91420793

IUPAC(4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCCC1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C11H17N3OS/c1-3-9-4-6-14(7-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3
InChIKeyRUMJANUDZJWZOI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.11
Rot. Bonds2

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

(4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 91420793) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID91420793
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCCC1CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C11H17N3OS/c1-3-9-4-6-14(7-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3
InChIKeyRUMJANUDZJWZOI-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 91420793) is (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is CCC1CCN(C(=O)c2snnc2C)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is RUMJANUDZJWZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-9-4-6-14(7-5-9)11(15)10-8(2)12-13-16-10/h9H,3-7H2,1-2H3.
What are the key properties of (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 91420793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).