6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C12H17N3O2S — CID 112644998

IUPAC6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(Cc2cncs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-7(2)10-12(17)15(8(3)11(16)14-10)5-9-4-13-6-18-9/h4,6-8,10H,5H2,1-3H3,(H,14,16)
InChIKeyHXUQDHZOERJONR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.01
Rot. Bonds3

About 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 112644998) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID112644998
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(Cc2cncs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-7(2)10-12(17)15(8(3)11(16)14-10)5-9-4-13-6-18-9/h4,6-8,10H,5H2,1-3H3,(H,14,16)
InChIKeyHXUQDHZOERJONR-UHFFFAOYSA-N
XLogP1.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yl-7-methyl-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979744
1-[(4-ethylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64872478
6-methyl-1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64874446
7-methyl-3-(2-methylpropyl)-1-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 115979748
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 105375775
1-[(E)-3-chloroprop-2-enyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107901996
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645008
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
1-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106046035
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 112644998) is 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C)N(Cc2cncs2)C1=O.
What is the InChIKey of 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is HXUQDHZOERJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)10-12(17)15(8(3)11(16)14-10)5-9-4-13-6-18-9/h4,6-8,10H,5H2,1-3H3,(H,14,16).
What are the key properties of 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 112644998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).