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

C15H23N3O2S — CID 64971148

IUPAC3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(CCc2cscn2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-9(2)12-15(20)18(6-5-11-7-21-8-16-11)13(10(3)4)14(19)17-12/h7-10,12-13H,5-6H2,1-4H3,(H,17,19)
InChIKeyUFBVRZOEEZYUCJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.69
Rot. Bonds5

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

3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 64971148) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID64971148
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(CCc2cscn2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-9(2)12-15(20)18(6-5-11-7-21-8-16-11)13(10(3)4)14(19)17-12/h7-10,12-13H,5-6H2,1-4H3,(H,17,19)
InChIKeyUFBVRZOEEZYUCJ-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-cyclopropyl-6-propan-2-yl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971209
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
(3R,6R,9R,12S,15S)-9-benzhydryl-1-methyl-3,12-bis(2-methylpropyl)-15-propan-2-yl-6-(1,3-thiazol-4-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 118709217
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970456
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971066
3-ethyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971150
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 64971148) is 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)C)N(CCc2cscn2)C1=O.
What is the InChIKey of 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is UFBVRZOEEZYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)12-15(20)18(6-5-11-7-21-8-16-11)13(10(3)4)14(19)17-12/h7-10,12-13H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64971148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).