6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C11H15N3O2S — CID 112645045

IUPAC6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cncs1
InChIInChI=1S/C11H15N3O2S/c1-2-3-9-11(16)13-5-10(15)14(9)6-8-4-12-7-17-8/h4,7,9H,2-3,5-6H2,1H3,(H,13,16)
InChIKeyMKHZJYJLCQNVNZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.77
Rot. Bonds4

About 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 112645045) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID112645045
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cncs1
InChIInChI=1S/C11H15N3O2S/c1-2-3-9-11(16)13-5-10(15)14(9)6-8-4-12-7-17-8/h4,7,9H,2-3,5-6H2,1H3,(H,13,16)
InChIKeyMKHZJYJLCQNVNZ-UHFFFAOYSA-N
XLogP0.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64880051
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64881604
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971193
1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64878706
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
6-ethyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 64970020
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-propylpiperazine-2,5-dione
CID 79214491
3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione
CID 167866725
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 112645045) is 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1cncs1.
What is the InChIKey of 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is MKHZJYJLCQNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-3-9-11(16)13-5-10(15)14(9)6-8-4-12-7-17-8/h4,7,9H,2-3,5-6H2,1H3,(H,13,16).
What are the key properties of 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 253.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 112645045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).