1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione

C15H23N3O2S — CID 64966326

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(Cc2csc(C)n2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-5-6-12-15(20)18(7-11-8-21-10(4)16-11)13(9(2)3)14(19)17-12/h8-9,12-13H,5-7H2,1-4H3,(H,17,19)
InChIKeySIUPXEICNZLSGJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.10
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64966326) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64966326
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(Cc2csc(C)n2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-5-6-12-15(20)18(7-11-8-21-10(4)16-11)13(9(2)3)14(19)17-12/h8-9,12-13H,5-7H2,1-4H3,(H,17,19)
InChIKeySIUPXEICNZLSGJ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64872578
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64966326) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(Cc2csc(C)n2)C1=O.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is SIUPXEICNZLSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-6-12-15(20)18(7-11-8-21-10(4)16-11)13(9(2)3)14(19)17-12/h8-9,12-13H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64966326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).