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

C15H21N3O2S — CID 64971066

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1cscn1
InChIInChI=1S/C15H21N3O2S/c1-3-12-13(19)17-15(2,10-4-5-10)14(20)18(12)7-6-11-8-21-9-16-11/h8-10,12H,3-7H2,1-2H3,(H,17,19)
InChIKeyZYEDSXMAUPFCSL-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.59
Rot. Bonds5

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

3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 64971066) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID64971066
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1cscn1
InChIInChI=1S/C15H21N3O2S/c1-3-12-13(19)17-15(2,10-4-5-10)14(20)18(12)7-6-11-8-21-9-16-11/h8-10,12H,3-7H2,1-2H3,(H,17,19)
InChIKeyZYEDSXMAUPFCSL-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 106171898
3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 64970923
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971150
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64886515
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 64971066) is 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1CCc1cscn1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is ZYEDSXMAUPFCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-12-13(19)17-15(2,10-4-5-10)14(20)18(12)7-6-11-8-21-9-16-11/h8-10,12H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 307.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 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-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64971066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).