6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C14H19N3O2S — CID 115979674

IUPAC6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(Cc2cncs2)C1=O
InChIInChI=1S/C14H19N3O2S/c1-3-11-12(18)17(7-10-6-15-8-20-10)14(2,9-4-5-9)13(19)16-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyQIQIMJJKQPMYSE-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.55
Rot. Bonds4

About 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 115979674) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID115979674
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C2CC2)N(Cc2cncs2)C1=O
InChIInChI=1S/C14H19N3O2S/c1-3-11-12(18)17(7-10-6-15-8-20-10)14(2,9-4-5-9)13(19)16-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyQIQIMJJKQPMYSE-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 115979674) is 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C2CC2)N(Cc2cncs2)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is QIQIMJJKQPMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-11-12(18)17(7-10-6-15-8-20-10)14(2,9-4-5-9)13(19)16-11/h6,8-9,11H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 293.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 115979674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).