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

C10H13N3O2S — CID 106045871

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCc1nc(CCN2CC(=O)NCC2=O)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)2-3-13-5-9(14)11-4-10(13)15/h6H,2-5H2,1H3,(H,11,14)
InChIKeyVOCUKXIMQWTGCZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.05
Rot. Bonds3

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

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 106045871) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID106045871
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCc1nc(CCN2CC(=O)NCC2=O)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)2-3-13-5-9(14)11-4-10(13)15/h6H,2-5H2,1H3,(H,11,14)
InChIKeyVOCUKXIMQWTGCZ-UHFFFAOYSA-N
XLogP-0.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64955773
1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045774
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 114140334
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 106045871) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is Cc1nc(CCN2CC(=O)NCC2=O)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is VOCUKXIMQWTGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)2-3-13-5-9(14)11-4-10(13)15/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106045871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).