6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C14H21N3O2S — CID 115979661

IUPAC6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cncs1
InChIInChI=1S/C14H21N3O2S/c1-5-9(2)11-12(18)16-14(3,4)13(19)17(11)7-10-6-15-8-20-10/h6,8-9,11H,5,7H2,1-4H3,(H,16,18)
InChIKeyFABGQCHPGOQLPS-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.79
Rot. Bonds4

About 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 115979661) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID115979661
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cncs1
InChIInChI=1S/C14H21N3O2S/c1-5-9(2)11-12(18)16-14(3,4)13(19)17(11)7-10-6-15-8-20-10/h6,8-9,11H,5,7H2,1-4H3,(H,16,18)
InChIKeyFABGQCHPGOQLPS-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721
6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056471
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64901588
3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645022
3-butan-2-yl-7-methyl-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979744
6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112644998
6-ethyl-3,3-dimethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64970881
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
5-[(2-butan-2-yl-5,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 115979603
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645008

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 115979661) is 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cncs1.
What is the InChIKey of 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is FABGQCHPGOQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-9(2)11-12(18)16-14(3,4)13(19)17(11)7-10-6-15-8-20-10/h6,8-9,11H,5,7H2,1-4H3,(H,16,18).
What are the key properties of 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 115979661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).