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

C13H19N3O2S — CID 64973284

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1csc(C(C)N2CC(=O)NC(C(C)C)C2=O)n1
InChIInChI=1S/C13H19N3O2S/c1-7(2)11-13(18)16(5-10(17)15-11)9(4)12-14-8(3)6-19-12/h6-7,9,11H,5H2,1-4H3,(H,15,17)
InChIKeyDQXCZGRIMNKCLL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.50
Rot. Bonds3

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

1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64973284) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64973284
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1csc(C(C)N2CC(=O)NC(C(C)C)C2=O)n1
InChIInChI=1S/C13H19N3O2S/c1-7(2)11-13(18)16(5-10(17)15-11)9(4)12-14-8(3)6-19-12/h6-7,9,11H,5H2,1-4H3,(H,15,17)
InChIKeyDQXCZGRIMNKCLL-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583
3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973260
3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973178
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64973284) is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione is Cc1csc(C(C)N2CC(=O)NC(C(C)C)C2=O)n1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DQXCZGRIMNKCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-7(2)11-13(18)16(5-10(17)15-11)9(4)12-14-8(3)6-19-12/h6-7,9,11H,5H2,1-4H3,(H,15,17).
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64973284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).