1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one

C14H20N4O2S — CID 72138586

IUPAC1-[2-oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
SMILESC1CC(CN(C1)C(=O)CN2CCCNC2=O)C3=NC=CS3
InChIInChI=1S/C14H20N4O2S/c19-12(10-18-7-2-4-16-14(18)20)17-6-1-3-11(9-17)13-15-5-8-21-13/h5,8,11H,1-4,6-7,9-10H2,(H,16,20)
InChIKeyBKMYGLGJZJDSJJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one

1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one (PubChem CID 72138586) has the molecular formula C14H20N4O2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
PubChem CID72138586
Molecular FormulaC14H20N4O2S
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Name1-[2-oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
SMILESC1CC(CN(C1)C(=O)CN2CCCNC2=O)C3=NC=CS3
InChIInChI=1S/C14H20N4O2S/c19-12(10-18-7-2-4-16-14(18)20)17-6-1-3-11(9-17)13-15-5-8-21-13/h5,8,11H,1-4,6-7,9-10H2,(H,16,20)
InChIKeyBKMYGLGJZJDSJJ-UHFFFAOYSA-N
XLogP0.50
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity406

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one (CID 72138586) is 1-[2-oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one is C1CC(CN(C1)C(=O)CN2CCCNC2=O)C3=NC=CS3.
What is the InChIKey of 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one?
The InChIKey is BKMYGLGJZJDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-12(10-18-7-2-4-16-14(18)20)17-6-1-3-11(9-17)13-15-5-8-21-13/h5,8,11H,1-4,6-7,9-10H2,(H,16,20).
What are the key properties of 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one?
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one has a molecular weight of 308.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 72138586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).