3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione

C14H19N3O3S — CID 106383680

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1csc(=O)[nH]1
InChIInChI=1S/C14H19N3O3S/c1-3-10-11(18)16-14(2,8-4-5-8)12(19)17(10)6-9-7-21-13(20)15-9/h7-8,10H,3-6H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyMMGQBRIGZUVCMT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.84
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 106383680) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID106383680
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1csc(=O)[nH]1
InChIInChI=1S/C14H19N3O3S/c1-3-10-11(18)16-14(2,8-4-5-8)12(19)17(10)6-9-7-21-13(20)15-9/h7-8,10H,3-6H2,1-2H3,(H,15,20)(H,16,18)
InChIKeyMMGQBRIGZUVCMT-UHFFFAOYSA-N
XLogP0.84
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (CID 106383680) is 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1Cc1csc(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is MMGQBRIGZUVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-10-11(18)16-14(2,8-4-5-8)12(19)17(10)6-9-7-21-13(20)15-9/h7-8,10H,3-6H2,1-2H3,(H,15,20)(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 309.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106383680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).