5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one

C12H19N3OS — CID 55241371

IUPAC5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
SMILESCc1nc(C)c(C(C)NC2CCC(=O)NC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-12(17-9(3)14-7)8(2)15-10-4-5-11(16)13-6-10/h8,10,15H,4-6H2,1-3H3,(H,13,16)
InChIKeyJFNVJLHQDNEZGE-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.69
Rot. Bonds3

About 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one

5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one (PubChem CID 55241371) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
PubChem CID55241371
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
SMILESCc1nc(C)c(C(C)NC2CCC(=O)NC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-12(17-9(3)14-7)8(2)15-10-4-5-11(16)13-6-10/h8,10,15H,4-6H2,1-3H3,(H,13,16)
InChIKeyJFNVJLHQDNEZGE-UHFFFAOYSA-N
XLogP1.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one (CID 55241371) is 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one is Cc1nc(C)c(C(C)NC2CCC(=O)NC2)s1.
What is the InChIKey of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one?
The InChIKey is JFNVJLHQDNEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-12(17-9(3)14-7)8(2)15-10-4-5-11(16)13-6-10/h8,10,15H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one?
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 55241371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).