1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione

C15H23N3O2S — CID 64965915

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)c2sc(C)nc2C)C1=O
InChIInChI=1S/C15H23N3O2S/c1-6-15(7-2)14(20)18(8-12(19)17-15)10(4)13-9(3)16-11(5)21-13/h10H,6-8H2,1-5H3,(H,17,19)
InChIKeyMNNONDGABXSYTK-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.34
Rot. Bonds4

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione (PubChem CID 64965915) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione
PubChem CID64965915
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C(C)c2sc(C)nc2C)C1=O
InChIInChI=1S/C15H23N3O2S/c1-6-15(7-2)14(20)18(8-12(19)17-15)10(4)13-9(3)16-11(5)21-13/h10H,6-8H2,1-5H3,(H,17,19)
InChIKeyMNNONDGABXSYTK-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione (CID 64965915) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(C(C)c2sc(C)nc2C)C1=O.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione?
The InChIKey is MNNONDGABXSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-6-15(7-2)14(20)18(8-12(19)17-15)10(4)13-9(3)16-11(5)21-13/h10H,6-8H2,1-5H3,(H,17,19).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64965915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).